3-methyl-5-oxo-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide

C9H14N2O2 — CID 86648338

IUPAC3-methyl-5-oxo-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide
SMILESCC1C2CC(=O)CC2CN1C(N)=O
InChIInChI=1S/C9H14N2O2/c1-5-8-3-7(12)2-6(8)4-11(5)9(10)13/h5-6,8H,2-4H2,1H3,(H2,10,13)
InChIKeyILQHBCXYUDMRCX-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.36
Rot. Bonds

About 3-methyl-5-oxo-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide

3-methyl-5-oxo-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide (PubChem CID 86648338) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 3-methyl-5-oxo-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide.

Molecular Properties

Compound Name3-methyl-5-oxo-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide
PubChem CID86648338
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name3-methyl-5-oxo-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide
SMILESCC1C2CC(=O)CC2CN1C(N)=O
InChIInChI=1S/C9H14N2O2/c1-5-8-3-7(12)2-6(8)4-11(5)9(10)13/h5-6,8H,2-4H2,1H3,(H2,10,13)
InChIKeyILQHBCXYUDMRCX-UHFFFAOYSA-N
XLogP0.36
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3aS,6aR)-3-tert-butyl-5-oxo-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylic acid
CID 66669431
(3R,3aS,6aR)-2-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxo-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-3-carboxylic acid
CID 97290576
1-(2-methyl-3-azabicyclo[3.1.0]hexan-3-yl)ethanone
CID 77427420
2-tert-butyl-5-oxo-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-3-carboxylic acid
CID 154356929
methyl (3S,3aR,6aS)-2-methyl-5-oxo-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-3-carboxylate
CID 146435938
ethyl 5-oxo-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylate
CID 59789428
(3aR,6aS)-5-oxo-N-propan-2-yl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide
CID 59614286
(1S,5S,6R)-6-methylbicyclo[3.2.0]heptan-3-one
CID 89088579
5-oxo-N,N-di(propan-2-yl)-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide
CID 68625483
6-methylbicyclo[3.1.0]hexan-3-one
CID 69065203
ethyl 5-oxo-2,3,3a,4,6,6a-hexahydro-1H-pentalene-2-carboxylate
CID 73030532
2-cyclopropylpiperidine-1-carboxamide
CID 140765289

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-oxo-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide?
The IUPAC name of 3-methyl-5-oxo-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide (CID 86648338) is 3-methyl-5-oxo-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide.
What is the SMILES notation for 3-methyl-5-oxo-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide?
The canonical SMILES for 3-methyl-5-oxo-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide is CC1C2CC(=O)CC2CN1C(N)=O.
What is the InChIKey of 3-methyl-5-oxo-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide?
The InChIKey is ILQHBCXYUDMRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-5-8-3-7(12)2-6(8)4-11(5)9(10)13/h5-6,8H,2-4H2,1H3,(H2,10,13).
What are the key properties of 3-methyl-5-oxo-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide?
3-methyl-5-oxo-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide has a molecular weight of 182.22 g/mol, XLogP of 0.36, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-oxo-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide is sourced from PubChem (CID 86648338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).