N-(1-bicyclo[2.2.1]heptanyl)-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxamide

C15H20N2O — CID 146088861

IUPACN-(1-bicyclo[2.2.1]heptanyl)-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxamide
SMILESO=C(NC12CCC(CC1)C2)c1cc2c([nH]1)CCC2
InChIInChI=1S/C15H20N2O/c18-14(13-8-11-2-1-3-12(11)16-13)17-15-6-4-10(9-15)5-7-15/h8,10,16H,1-7,9H2,(H,17,18)
InChIKeyVZCYKKZWPXQFNE-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.57
Rot. Bonds2

About N-(1-bicyclo[2.2.1]heptanyl)-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxamide

N-(1-bicyclo[2.2.1]heptanyl)-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxamide (PubChem CID 146088861) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N-(1-bicyclo[2.2.1]heptanyl)-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(1-bicyclo[2.2.1]heptanyl)-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxamide
PubChem CID146088861
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-(1-bicyclo[2.2.1]heptanyl)-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxamide
SMILESO=C(NC12CCC(CC1)C2)c1cc2c([nH]1)CCC2
InChIInChI=1S/C15H20N2O/c18-14(13-8-11-2-1-3-12(11)16-13)17-15-6-4-10(9-15)5-7-15/h8,10,16H,1-7,9H2,(H,17,18)
InChIKeyVZCYKKZWPXQFNE-UHFFFAOYSA-N
XLogP2.57
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(1-bicyclo[2.2.1]heptanyl)-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxamide?
The IUPAC name of N-(1-bicyclo[2.2.1]heptanyl)-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxamide (CID 146088861) is N-(1-bicyclo[2.2.1]heptanyl)-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxamide.
What is the SMILES notation for N-(1-bicyclo[2.2.1]heptanyl)-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxamide?
The canonical SMILES for N-(1-bicyclo[2.2.1]heptanyl)-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxamide is O=C(NC12CCC(CC1)C2)c1cc2c([nH]1)CCC2.
What is the InChIKey of N-(1-bicyclo[2.2.1]heptanyl)-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxamide?
The InChIKey is VZCYKKZWPXQFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c18-14(13-8-11-2-1-3-12(11)16-13)17-15-6-4-10(9-15)5-7-15/h8,10,16H,1-7,9H2,(H,17,18).
What are the key properties of N-(1-bicyclo[2.2.1]heptanyl)-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxamide?
N-(1-bicyclo[2.2.1]heptanyl)-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxamide has a molecular weight of 244.34 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bicyclo[2.2.1]heptanyl)-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxamide is sourced from PubChem (CID 146088861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).