methyl N-[(E)-7-hydroxyoct-5-enyl]carbamate

C10H19NO3 — CID 25188540

IUPACmethyl N-[(E)-7-hydroxyoct-5-enyl]carbamate
SMILESCOC(=O)NCCCC/C=C/C(C)O
InChIInChI=1S/C10H19NO3/c1-9(12)7-5-3-4-6-8-11-10(13)14-2/h5,7,9,12H,3-4,6,8H2,1-2H3,(H,11,13)/b7-5+
InChIKeyOSWJGHDWIOGUQS-FNORWQNLSA-N
MW201.27 g/mol
LogP1.45
Rot. Bonds6

About methyl N-[(E)-7-hydroxyoct-5-enyl]carbamate

methyl N-[(E)-7-hydroxyoct-5-enyl]carbamate (PubChem CID 25188540) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is methyl N-[(E)-7-hydroxyoct-5-enyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(E)-7-hydroxyoct-5-enyl]carbamate
PubChem CID25188540
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namemethyl N-[(E)-7-hydroxyoct-5-enyl]carbamate
SMILESCOC(=O)NCCCC/C=C/C(C)O
InChIInChI=1S/C10H19NO3/c1-9(12)7-5-3-4-6-8-11-10(13)14-2/h5,7,9,12H,3-4,6,8H2,1-2H3,(H,11,13)/b7-5+
InChIKeyOSWJGHDWIOGUQS-FNORWQNLSA-N
XLogP1.45
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[4-(methoxycarbonylamino)butyl]carbamate
CID 2255932
methyl N-[10-(methoxycarbonylamino)decyl]carbamate
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methyl N-[3-[(1R)-1-hydroxyethoxy]propyl]carbamate
CID 146507765
tert-butyl N-(8-hydroxy-7-methylnon-4-enyl)carbamate
CID 91301754
(Z,2R)-non-3-en-2-ol
CID 11040800
4-(methoxycarbonylamino)butylcarbamic acid
CID 139823188
undec-3-en-2-ol
CID 174515693
methyl N-nonylcarbamate
CID 5102101
methyl N-[12-(methylamino)dodecyl]carbamate
CID 158871093
dec-3-ene-2,9-diol
CID 57127068
methyl N-hex-5-ynylcarbamate
CID 103758218
tert-butyl N-[(4E,6Z)-7-methoxyhepta-4,6-dienyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of methyl N-[(E)-7-hydroxyoct-5-enyl]carbamate?
The IUPAC name of methyl N-[(E)-7-hydroxyoct-5-enyl]carbamate (CID 25188540) is methyl N-[(E)-7-hydroxyoct-5-enyl]carbamate.
What is the SMILES notation for methyl N-[(E)-7-hydroxyoct-5-enyl]carbamate?
The canonical SMILES for methyl N-[(E)-7-hydroxyoct-5-enyl]carbamate is COC(=O)NCCCC/C=C/C(C)O.
What is the InChIKey of methyl N-[(E)-7-hydroxyoct-5-enyl]carbamate?
The InChIKey is OSWJGHDWIOGUQS-FNORWQNLSA-N. The full InChI is InChI=1S/C10H19NO3/c1-9(12)7-5-3-4-6-8-11-10(13)14-2/h5,7,9,12H,3-4,6,8H2,1-2H3,(H,11,13)/b7-5+.
What are the key properties of methyl N-[(E)-7-hydroxyoct-5-enyl]carbamate?
methyl N-[(E)-7-hydroxyoct-5-enyl]carbamate has a molecular weight of 201.27 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(E)-7-hydroxyoct-5-enyl]carbamate is sourced from PubChem (CID 25188540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).