3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-yl carbamate

C8H13NO3 — CID 175218198

IUPAC3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-yl carbamate
SMILESNC(=O)OC1CC2COCC2C1
InChIInChI=1S/C8H13NO3/c9-8(10)12-7-1-5-3-11-4-6(5)2-7/h5-7H,1-4H2,(H2,9,10)
InChIKeyGNELLZARRRQLPU-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.51
Rot. Bonds1

About 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-yl carbamate

3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-yl carbamate (PubChem CID 175218198) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-yl carbamate.

Molecular Properties

Compound Name3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-yl carbamate
PubChem CID175218198
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-yl carbamate
SMILESNC(=O)OC1CC2COCC2C1
InChIInChI=1S/C8H13NO3/c9-8(10)12-7-1-5-3-11-4-6(5)2-7/h5-7H,1-4H2,(H2,9,10)
InChIKeyGNELLZARRRQLPU-UHFFFAOYSA-N
XLogP0.51
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 175447577
(3-hydroxycyclobutyl) carbamate;hydrochloride
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CID 90426775
[3-(2-hydroxyethyl)cyclobutyl] carbamate
CID 175068010
(3-ethynylcyclobutyl) carbamate
CID 142547737
(5-oxooxolan-3-yl) carbamate
CID 22258542
[(1R,3R)-3-aminocyclopentyl] carbamate
CID 154024517
[(3S)-3-aminocyclopentyl] carbamate
CID 175196107
[(5R,8S)-1-oxaspiro[4.4]nonan-8-yl] carbamate
CID 142807025
[(1S,3R)-3-fluorocyclopentyl] carbamate
CID 175108373
[3-(2-amino-3-hydroxypropyl)cyclobutyl] carbamate
CID 175169048
[(1S,3S)-3-carbamoylcyclohexyl] carbamate
CID 69109652

Frequently Asked Questions

What is the IUPAC name of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-yl carbamate?
The IUPAC name of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-yl carbamate (CID 175218198) is 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-yl carbamate.
What is the SMILES notation for 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-yl carbamate?
The canonical SMILES for 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-yl carbamate is NC(=O)OC1CC2COCC2C1.
What is the InChIKey of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-yl carbamate?
The InChIKey is GNELLZARRRQLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c9-8(10)12-7-1-5-3-11-4-6(5)2-7/h5-7H,1-4H2,(H2,9,10).
What are the key properties of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-yl carbamate?
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-yl carbamate has a molecular weight of 171.20 g/mol, XLogP of 0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-yl carbamate is sourced from PubChem (CID 175218198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).