benzyl N-[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]carbamate

C15H20N2O2 — CID 11425456

IUPACbenzyl N-[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]carbamate
SMILESO=C(N[C@H]1CCN2CCC[C@H]12)OCc1ccccc1
InChIInChI=1S/C15H20N2O2/c18-15(19-11-12-5-2-1-3-6-12)16-13-8-10-17-9-4-7-14(13)17/h1-3,5-6,13-14H,4,7-11H2,(H,16,18)/t13-,14+/m0/s1
InChIKeyVCCZEKMUDRYGAQ-UONOGXRCSA-N
MW260.34 g/mol
LogP2.15
Rot. Bonds3

About benzyl N-[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]carbamate

benzyl N-[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]carbamate (PubChem CID 11425456) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is benzyl N-[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]carbamate
PubChem CID11425456
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Namebenzyl N-[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]carbamate
SMILESO=C(N[C@H]1CCN2CCC[C@H]12)OCc1ccccc1
InChIInChI=1S/C15H20N2O2/c18-15(19-11-12-5-2-1-3-6-12)16-13-8-10-17-9-4-7-14(13)17/h1-3,5-6,13-14H,4,7-11H2,(H,16,18)/t13-,14+/m0/s1
InChIKeyVCCZEKMUDRYGAQ-UONOGXRCSA-N
XLogP2.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 130993442
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CID 91810202
benzyl N-[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopropyl]carbamate
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benzyl N-(2-hydroxycyclopropyl)carbamate
CID 69099067
benzyl N-[(1R,2R)-2-aminocyclopentyl]carbamate
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benzyl N-[(1S,2R,4S,5S)-4,5-dihydroxy-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 70892702
benzyl N-(2-carbamoylcyclohexyl)carbamate
CID 72740883
benzyl N-[(1S,2S,3S)-2,3-dihydroxycyclohexyl]carbamate
CID 57331884
benzyl N-[(1R,2S)-2-phenylselanylcyclohexyl]carbamate
CID 10834125
(3S,4S)-4-(phenylmethoxycarbonylamino)piperidine-1,3-dicarboxylic acid
CID 145450382
(3S,4R)-4-(phenylmethoxycarbonylamino)piperidine-1,3-dicarboxylic acid
CID 91439797

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]carbamate?
The IUPAC name of benzyl N-[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]carbamate (CID 11425456) is benzyl N-[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]carbamate.
What is the SMILES notation for benzyl N-[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]carbamate?
The canonical SMILES for benzyl N-[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]carbamate is O=C(N[C@H]1CCN2CCC[C@H]12)OCc1ccccc1.
What is the InChIKey of benzyl N-[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]carbamate?
The InChIKey is VCCZEKMUDRYGAQ-UONOGXRCSA-N. The full InChI is InChI=1S/C15H20N2O2/c18-15(19-11-12-5-2-1-3-6-12)16-13-8-10-17-9-4-7-14(13)17/h1-3,5-6,13-14H,4,7-11H2,(H,16,18)/t13-,14+/m0/s1.
What are the key properties of benzyl N-[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]carbamate?
benzyl N-[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]carbamate has a molecular weight of 260.34 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]carbamate is sourced from PubChem (CID 11425456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).