[(1S)-3-[(6S)-6-[(E)-hex-2-enoxy]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methyl carbamate

C23H33NO3 — CID 145021507

IUPAC[(1S)-3-[(6S)-6-[(E)-hex-2-enoxy]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methyl carbamate
SMILESCCC/C=C/CO[C@H]1CCc2cc(C3CC[C@H](COC(N)=O)C3)ccc2C1
InChIInChI=1S/C23H33NO3/c1-2-3-4-5-12-26-22-11-10-20-14-19(8-9-21(20)15-22)18-7-6-17(13-18)16-27-23(24)25/h4-5,8-9,14,17-18,22H,2-3,6-7,10-13,15-16H2,1H3,(H2,24,25)/b5-4+/t17-,18?,22-/m0/s1
InChIKeyFJTWDCLTFOSCJZ-XTVZCJERSA-N
MW371.52 g/mol
LogP4.90
Rot. Bonds8

About [(1S)-3-[(6S)-6-[(E)-hex-2-enoxy]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methyl carbamate

[(1S)-3-[(6S)-6-[(E)-hex-2-enoxy]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methyl carbamate (PubChem CID 145021507) has the molecular formula C23H33NO3 and a molecular weight of 371.52 g/mol. Its IUPAC name is [(1S)-3-[(6S)-6-[(E)-hex-2-enoxy]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methyl carbamate.

Molecular Properties

Compound Name[(1S)-3-[(6S)-6-[(E)-hex-2-enoxy]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methyl carbamate
PubChem CID145021507
Molecular FormulaC23H33NO3
Molecular Weight371.52 g/mol
Exact Mass371.25
IUPAC Name[(1S)-3-[(6S)-6-[(E)-hex-2-enoxy]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methyl carbamate
SMILESCCC/C=C/CO[C@H]1CCc2cc(C3CC[C@H](COC(N)=O)C3)ccc2C1
InChIInChI=1S/C23H33NO3/c1-2-3-4-5-12-26-22-11-10-20-14-19(8-9-21(20)15-22)18-7-6-17(13-18)16-27-23(24)25/h4-5,8-9,14,17-18,22H,2-3,6-7,10-13,15-16H2,1H3,(H2,24,25)/b5-4+/t17-,18?,22-/m0/s1
InChIKeyFJTWDCLTFOSCJZ-XTVZCJERSA-N
XLogP4.90
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.52
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(1R,3S)-1-amino-3-[(6S)-6-[(Z)-hept-2-enoxy]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methyl dihydrogen phosphate
CID 138106709
[3-(4-methoxy-3-methylphenyl)cyclopentyl]methyl carbamate
CID 143710477
[(1S,3R)-3-(4-methoxyphenyl)cyclopentyl]methyl carbamate
CID 143710570
[6-[3-(hydroxymethyl)cyclopentyl]-1,2,3,4-tetrahydronaphthalen-2-yl] benzoate
CID 145021759
(5R)-6-amino-5-[(6S)-6-[(Z)-hept-2-enoxy]-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol;ethane
CID 145021637
(1R)-3-[6-(2-butoxyethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]-N-propan-2-ylcyclopentan-1-amine;methanol
CID 145021641
[(1S,3S)-1-amino-3-(6-pentoxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol
CID 118877560
2-propyl-6-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 139864792
2-butyl-6-(4-butylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
CID 20500349
6-(6-butoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-ethyl-1,2,3,4-tetrahydronaphthalene
CID 139865642
2-butyl-6-(6-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 139865614
2-ethyl-6-(4-hexylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
CID 20500147

Frequently Asked Questions

What is the IUPAC name of [(1S)-3-[(6S)-6-[(E)-hex-2-enoxy]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methyl carbamate?
The IUPAC name of [(1S)-3-[(6S)-6-[(E)-hex-2-enoxy]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methyl carbamate (CID 145021507) is [(1S)-3-[(6S)-6-[(E)-hex-2-enoxy]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methyl carbamate.
What is the SMILES notation for [(1S)-3-[(6S)-6-[(E)-hex-2-enoxy]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methyl carbamate?
The canonical SMILES for [(1S)-3-[(6S)-6-[(E)-hex-2-enoxy]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methyl carbamate is CCC/C=C/CO[C@H]1CCc2cc(C3CC[C@H](COC(N)=O)C3)ccc2C1.
What is the InChIKey of [(1S)-3-[(6S)-6-[(E)-hex-2-enoxy]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methyl carbamate?
The InChIKey is FJTWDCLTFOSCJZ-XTVZCJERSA-N. The full InChI is InChI=1S/C23H33NO3/c1-2-3-4-5-12-26-22-11-10-20-14-19(8-9-21(20)15-22)18-7-6-17(13-18)16-27-23(24)25/h4-5,8-9,14,17-18,22H,2-3,6-7,10-13,15-16H2,1H3,(H2,24,25)/b5-4+/t17-,18?,22-/m0/s1.
What are the key properties of [(1S)-3-[(6S)-6-[(E)-hex-2-enoxy]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methyl carbamate?
[(1S)-3-[(6S)-6-[(E)-hex-2-enoxy]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methyl carbamate has a molecular weight of 371.52 g/mol, XLogP of 4.90, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-3-[(6S)-6-[(E)-hex-2-enoxy]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methyl carbamate is sourced from PubChem (CID 145021507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).