3,3-dimethyl-2,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;formamide

C10H20N2O — CID 175066318

IUPAC3,3-dimethyl-2,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;formamide
SMILESCC1(C)NCC2CCCC21.NC=O
InChIInChI=1S/C9H17N.CH3NO/c1-9(2)8-5-3-4-7(8)6-10-9;2-1-3/h7-8,10H,3-6H2,1-2H3;1H,(H2,2,3)
InChIKeyXIJQQRQMFHXNOO-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.89
Rot. Bonds

About 3,3-dimethyl-2,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;formamide

3,3-dimethyl-2,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;formamide (PubChem CID 175066318) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 3,3-dimethyl-2,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;formamide.

Molecular Properties

Compound Name3,3-dimethyl-2,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;formamide
PubChem CID175066318
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name3,3-dimethyl-2,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;formamide
SMILESCC1(C)NCC2CCCC21.NC=O
InChIInChI=1S/C9H17N.CH3NO/c1-9(2)8-5-3-4-7(8)6-10-9;2-1-3/h7-8,10H,3-6H2,1-2H3;1H,(H2,2,3)
InChIKeyXIJQQRQMFHXNOO-UHFFFAOYSA-N
XLogP0.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,3-dimethyl-2,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;formamide with MolForge

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Related Compounds

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CID 176635660
3-cyclopentyl-2,2,4-trimethylpyrrolidine
CID 130871166
1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;formamide;methane
CID 143297123
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CID 70639150
[(1S,7S,8S)-8-methyl-8-bicyclo[5.2.0]nonanyl]methanamine
CID 70639186
(5R)-6,6-dimethylbicyclo[3.1.0]hexane;molecular hydrogen;phosphane
CID 171834213
methyl 2-[(1R,5R,6R)-6-methyl-6-bicyclo[3.2.0]heptanyl]acetate
CID 67558569
(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;hydrochloride
CID 67080793
formamide;1,1,2,2-tetramethyl-4,5,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
CID 175104579
1,2,3,3a,4,5,6,6a-octahydropentalene;phosphane
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1-(2-cyclobutyl-1-methylcyclopropyl)-N-methylmethanamine
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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;formamide?
The IUPAC name of 3,3-dimethyl-2,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;formamide (CID 175066318) is 3,3-dimethyl-2,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;formamide.
What is the SMILES notation for 3,3-dimethyl-2,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;formamide?
The canonical SMILES for 3,3-dimethyl-2,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;formamide is CC1(C)NCC2CCCC21.NC=O.
What is the InChIKey of 3,3-dimethyl-2,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;formamide?
The InChIKey is XIJQQRQMFHXNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N.CH3NO/c1-9(2)8-5-3-4-7(8)6-10-9;2-1-3/h7-8,10H,3-6H2,1-2H3;1H,(H2,2,3).
What are the key properties of 3,3-dimethyl-2,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;formamide?
3,3-dimethyl-2,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;formamide has a molecular weight of 184.28 g/mol, XLogP of 0.89, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;formamide is sourced from PubChem (CID 175066318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).