N-(1H-pyrrol-3-ylmethyl)cycloheptanecarboxamide

C13H20N2O — CID 106385859

IUPACN-(1H-pyrrol-3-ylmethyl)cycloheptanecarboxamide
SMILESO=C(NCc1cc[nH]c1)C1CCCCCC1
InChIInChI=1S/C13H20N2O/c16-13(12-5-3-1-2-4-6-12)15-10-11-7-8-14-9-11/h7-9,12,14H,1-6,10H2,(H,15,16)
InChIKeyRPZPXODRVCUZEO-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.60
Rot. Bonds3

About N-(1H-pyrrol-3-ylmethyl)cycloheptanecarboxamide

N-(1H-pyrrol-3-ylmethyl)cycloheptanecarboxamide (PubChem CID 106385859) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-(1H-pyrrol-3-ylmethyl)cycloheptanecarboxamide.

Molecular Properties

Compound NameN-(1H-pyrrol-3-ylmethyl)cycloheptanecarboxamide
PubChem CID106385859
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-(1H-pyrrol-3-ylmethyl)cycloheptanecarboxamide
SMILESO=C(NCc1cc[nH]c1)C1CCCCCC1
InChIInChI=1S/C13H20N2O/c16-13(12-5-3-1-2-4-6-12)15-10-11-7-8-14-9-11/h7-9,12,14H,1-6,10H2,(H,15,16)
InChIKeyRPZPXODRVCUZEO-UHFFFAOYSA-N
XLogP2.60
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4-(hydroxymethyl)-N-(1H-pyrrol-3-ylmethyl)cyclohexane-1-carboxamide
CID 115151200
(2R)-N-(1H-pyrrol-3-ylmethyl)piperidine-2-carboxamide
CID 106384933
N-(1H-pyrrol-3-ylmethyl)pyrrolidine-2-carboxamide
CID 82491181
N-benzylcyclopentanecarboxamide
CID 835634
2-(cyclopentylamino)-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 106384695
N-[(4-carbamothioylphenyl)methyl]cyclooctanecarboxamide
CID 65018764
5-methyl-N-(1H-pyrrol-3-ylmethyl)oxolane-2-carboxamide
CID 106385224
N-[[4-(2-aminoethyl)phenyl]methyl]cyclooctanecarboxamide
CID 65022816
(1S,6R)-6-(1H-pyrrol-3-ylmethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 114181898
N-benzylcyclobutanecarboxamide
CID 730128
2-(cyclopropylamino)-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 106384770
cis-(1R,2S)-4-methyl-2-(1H-pyrrol-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114181906

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrrol-3-ylmethyl)cycloheptanecarboxamide?
The IUPAC name of N-(1H-pyrrol-3-ylmethyl)cycloheptanecarboxamide (CID 106385859) is N-(1H-pyrrol-3-ylmethyl)cycloheptanecarboxamide.
What is the SMILES notation for N-(1H-pyrrol-3-ylmethyl)cycloheptanecarboxamide?
The canonical SMILES for N-(1H-pyrrol-3-ylmethyl)cycloheptanecarboxamide is O=C(NCc1cc[nH]c1)C1CCCCCC1.
What is the InChIKey of N-(1H-pyrrol-3-ylmethyl)cycloheptanecarboxamide?
The InChIKey is RPZPXODRVCUZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c16-13(12-5-3-1-2-4-6-12)15-10-11-7-8-14-9-11/h7-9,12,14H,1-6,10H2,(H,15,16).
What are the key properties of N-(1H-pyrrol-3-ylmethyl)cycloheptanecarboxamide?
N-(1H-pyrrol-3-ylmethyl)cycloheptanecarboxamide has a molecular weight of 220.32 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrrol-3-ylmethyl)cycloheptanecarboxamide is sourced from PubChem (CID 106385859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).