N-cyclopropyl-3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-1-carboxamide

C13H22N2O — CID 128529431

IUPACN-cyclopropyl-3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-1-carboxamide
SMILESCC1(C)CN(C(=O)NC2CC2)C2CCCC21
InChIInChI=1S/C13H22N2O/c1-13(2)8-15(11-5-3-4-10(11)13)12(16)14-9-6-7-9/h9-11H,3-8H2,1-2H3,(H,14,16)
InChIKeyHZBKBPKHOFIYPW-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.37
Rot. Bonds1

About N-cyclopropyl-3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-1-carboxamide

N-cyclopropyl-3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-1-carboxamide (PubChem CID 128529431) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-cyclopropyl-3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-1-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-1-carboxamide
PubChem CID128529431
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-cyclopropyl-3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-1-carboxamide
SMILESCC1(C)CN(C(=O)NC2CC2)C2CCCC21
InChIInChI=1S/C13H22N2O/c1-13(2)8-15(11-5-3-4-10(11)13)12(16)14-9-6-7-9/h9-11H,3-8H2,1-2H3,(H,14,16)
InChIKeyHZBKBPKHOFIYPW-UHFFFAOYSA-N
XLogP2.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-1-carboxamide?
The IUPAC name of N-cyclopropyl-3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-1-carboxamide (CID 128529431) is N-cyclopropyl-3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-1-carboxamide.
What is the SMILES notation for N-cyclopropyl-3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-1-carboxamide?
The canonical SMILES for N-cyclopropyl-3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-1-carboxamide is CC1(C)CN(C(=O)NC2CC2)C2CCCC21.
What is the InChIKey of N-cyclopropyl-3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-1-carboxamide?
The InChIKey is HZBKBPKHOFIYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-13(2)8-15(11-5-3-4-10(11)13)12(16)14-9-6-7-9/h9-11H,3-8H2,1-2H3,(H,14,16).
What are the key properties of N-cyclopropyl-3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-1-carboxamide?
N-cyclopropyl-3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-1-carboxamide has a molecular weight of 222.33 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-1-carboxamide is sourced from PubChem (CID 128529431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).