(3aS,6aR)-N,N-dimethyl-5-methylidene-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide

C11H18N2O — CID 59614272

IUPAC(3aS,6aR)-N,N-dimethyl-5-methylidene-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide
SMILESC=C1C[C@@H]2CN(C(=O)N(C)C)C[C@@H]2C1
InChIInChI=1S/C11H18N2O/c1-8-4-9-6-13(7-10(9)5-8)11(14)12(2)3/h9-10H,1,4-7H2,2-3H3/t9-,10+
InChIKeyXNTUKPBCFKXFIX-AOOOYVTPSA-N
MW194.28 g/mol
LogP1.57
Rot. Bonds

About (3aS,6aR)-N,N-dimethyl-5-methylidene-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide

(3aS,6aR)-N,N-dimethyl-5-methylidene-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide (PubChem CID 59614272) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is (3aS,6aR)-N,N-dimethyl-5-methylidene-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide.

Molecular Properties

Compound Name(3aS,6aR)-N,N-dimethyl-5-methylidene-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide
PubChem CID59614272
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name(3aS,6aR)-N,N-dimethyl-5-methylidene-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide
SMILESC=C1C[C@@H]2CN(C(=O)N(C)C)C[C@@H]2C1
InChIInChI=1S/C11H18N2O/c1-8-4-9-6-13(7-10(9)5-8)11(14)12(2)3/h9-10H,1,4-7H2,2-3H3/t9-,10+
InChIKeyXNTUKPBCFKXFIX-AOOOYVTPSA-N
XLogP1.57
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-N,N-dimethyl-5-methylidene-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide?
The IUPAC name of (3aS,6aR)-N,N-dimethyl-5-methylidene-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide (CID 59614272) is (3aS,6aR)-N,N-dimethyl-5-methylidene-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide.
What is the SMILES notation for (3aS,6aR)-N,N-dimethyl-5-methylidene-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide?
The canonical SMILES for (3aS,6aR)-N,N-dimethyl-5-methylidene-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide is C=C1C[C@@H]2CN(C(=O)N(C)C)C[C@@H]2C1.
What is the InChIKey of (3aS,6aR)-N,N-dimethyl-5-methylidene-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide?
The InChIKey is XNTUKPBCFKXFIX-AOOOYVTPSA-N. The full InChI is InChI=1S/C11H18N2O/c1-8-4-9-6-13(7-10(9)5-8)11(14)12(2)3/h9-10H,1,4-7H2,2-3H3/t9-,10+.
What are the key properties of (3aS,6aR)-N,N-dimethyl-5-methylidene-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide?
(3aS,6aR)-N,N-dimethyl-5-methylidene-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide has a molecular weight of 194.28 g/mol, XLogP of 1.57, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-N,N-dimethyl-5-methylidene-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide is sourced from PubChem (CID 59614272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).