N-(2-chloroacetyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide

C10H15ClN2O2 — CID 115560990

IUPACN-(2-chloroacetyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
SMILESO=C(CCl)NC(=O)N1CC2CCCC2C1
InChIInChI=1S/C10H15ClN2O2/c11-4-9(14)12-10(15)13-5-7-2-1-3-8(7)6-13/h7-8H,1-6H2,(H,12,14,15)
InChIKeyLXCRTPXEVCDBTR-UHFFFAOYSA-N
MW230.69 g/mol
LogP1.19
Rot. Bonds1

About N-(2-chloroacetyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide

N-(2-chloroacetyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide (PubChem CID 115560990) has the molecular formula C10H15ClN2O2 and a molecular weight of 230.69 g/mol. Its IUPAC name is N-(2-chloroacetyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloroacetyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
PubChem CID115560990
Molecular FormulaC10H15ClN2O2
Molecular Weight230.69 g/mol
Exact Mass230.08
IUPAC NameN-(2-chloroacetyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
SMILESO=C(CCl)NC(=O)N1CC2CCCC2C1
InChIInChI=1S/C10H15ClN2O2/c11-4-9(14)12-10(15)13-5-7-2-1-3-8(7)6-13/h7-8H,1-6H2,(H,12,14,15)
InChIKeyLXCRTPXEVCDBTR-UHFFFAOYSA-N
XLogP1.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroacetyl)-3-methylpiperidine-1-carboxamide
CID 43146182
N-(3-chloropropanoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 43620624
N-(2-chloroacetyl)-2,6-dimethylpiperidine-1-carboxamide
CID 43146357
1-N-(2-chloroacetyl)piperidine-1,3-dicarboxamide
CID 43146143
N-(2-chloroacetyl)-4-methylazepane-1-carboxamide
CID 63625647
N-(2-chloroacetyl)-3-(methoxymethyl)pyrrolidine-1-carboxamide
CID 64596602
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-(methylamino)propan-1-one
CID 115559774
(3aR,6aR)-N-[3-(cyclopropylmethoxy)propyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 97223382
(2S)-2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)butanedioic acid
CID 115560906
(2S)-2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)-3-hydroxypropanoic acid
CID 115560817
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)butane-1,3-dione
CID 115559837
aminomethyl 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
CID 135346409

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroacetyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
The IUPAC name of N-(2-chloroacetyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide (CID 115560990) is N-(2-chloroacetyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide.
What is the SMILES notation for N-(2-chloroacetyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
The canonical SMILES for N-(2-chloroacetyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide is O=C(CCl)NC(=O)N1CC2CCCC2C1.
What is the InChIKey of N-(2-chloroacetyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
The InChIKey is LXCRTPXEVCDBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2/c11-4-9(14)12-10(15)13-5-7-2-1-3-8(7)6-13/h7-8H,1-6H2,(H,12,14,15).
What are the key properties of N-(2-chloroacetyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
N-(2-chloroacetyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide has a molecular weight of 230.69 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroacetyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide is sourced from PubChem (CID 115560990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).