2-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]benzamide

C14H18N2O — CID 175757308

IUPAC2-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]benzamide
SMILESNC(=O)c1ccccc1C1C[C@H]2CNC[C@H]2C1
InChIInChI=1S/C14H18N2O/c15-14(17)13-4-2-1-3-12(13)9-5-10-7-16-8-11(10)6-9/h1-4,9-11,16H,5-8H2,(H2,15,17)/t9?,10-,11+
InChIKeyQJMDLRXRSZLVPR-FGWVZKOKSA-N
MW230.31 g/mol
LogP1.50
Rot. Bonds2

About 2-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]benzamide

2-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]benzamide (PubChem CID 175757308) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]benzamide.

Molecular Properties

Compound Name2-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]benzamide
PubChem CID175757308
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]benzamide
SMILESNC(=O)c1ccccc1C1C[C@H]2CNC[C@H]2C1
InChIInChI=1S/C14H18N2O/c15-14(17)13-4-2-1-3-12(13)9-5-10-7-16-8-11(10)6-9/h1-4,9-11,16H,5-8H2,(H2,15,17)/t9?,10-,11+
InChIKeyQJMDLRXRSZLVPR-FGWVZKOKSA-N
XLogP1.50
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]benzamide?
The IUPAC name of 2-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]benzamide (CID 175757308) is 2-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]benzamide.
What is the SMILES notation for 2-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]benzamide?
The canonical SMILES for 2-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]benzamide is NC(=O)c1ccccc1C1C[C@H]2CNC[C@H]2C1.
What is the InChIKey of 2-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]benzamide?
The InChIKey is QJMDLRXRSZLVPR-FGWVZKOKSA-N. The full InChI is InChI=1S/C14H18N2O/c15-14(17)13-4-2-1-3-12(13)9-5-10-7-16-8-11(10)6-9/h1-4,9-11,16H,5-8H2,(H2,15,17)/t9?,10-,11+.
What are the key properties of 2-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]benzamide?
2-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]benzamide has a molecular weight of 230.31 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]benzamide is sourced from PubChem (CID 175757308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).