azepan-1-yl(1H-pyrrol-3-yl)methanone

C11H16N2O — CID 110691126

IUPACazepan-1-yl(1H-pyrrol-3-yl)methanone
SMILESO=C(c1cc[nH]c1)N1CCCCCC1
InChIInChI=1S/C11H16N2O/c14-11(10-5-6-12-9-10)13-7-3-1-2-4-8-13/h5-6,9,12H,1-4,7-8H2
InChIKeyWCQCLNVWKFUHDF-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.03
Rot. Bonds1

About azepan-1-yl(1H-pyrrol-3-yl)methanone

azepan-1-yl(1H-pyrrol-3-yl)methanone (PubChem CID 110691126) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is azepan-1-yl(1H-pyrrol-3-yl)methanone.

Molecular Properties

Compound Nameazepan-1-yl(1H-pyrrol-3-yl)methanone
PubChem CID110691126
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Nameazepan-1-yl(1H-pyrrol-3-yl)methanone
SMILESO=C(c1cc[nH]c1)N1CCCCCC1
InChIInChI=1S/C11H16N2O/c14-11(10-5-6-12-9-10)13-7-3-1-2-4-8-13/h5-6,9,12H,1-4,7-8H2
InChIKeyWCQCLNVWKFUHDF-UHFFFAOYSA-N
XLogP2.03
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cycloheptyl-[4-(1H-pyrrole-3-carbonyl)-1,4-diazepan-1-yl]methanone
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cyclobutyl-[4-(1H-pyrrole-3-carbonyl)piperazin-1-yl]methanone
CID 110803788
1-(1H-pyrrole-3-carbonyl)piperidine-4-carboxylic acid
CID 82472992
(3-hydroxypiperidin-1-yl)-(1H-pyrrol-3-yl)methanone
CID 115276942
[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 110815355
[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]-(1H-pyrrol-3-yl)methanone
CID 110816028
(3-chlorophenyl)-[4-(1H-pyrrole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110808411
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
1H-pyrrol-3-yl-[4-(2,3,4-trifluorobenzoyl)-1,4-diazepan-1-yl]methanone
CID 110808668
3-[4-(1H-pyrrole-3-carbonyl)-1,4-diazepane-1-carbonyl]-1H-pyridazin-6-one
CID 110816351
[4-(adamantane-1-carbonyl)-1,4-diazepan-1-yl]-(1H-pyrrol-3-yl)methanone
CID 110809208
(4-propan-2-ylsulfanylphenyl)-[4-(1H-pyrrole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110816823

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl(1H-pyrrol-3-yl)methanone?
The IUPAC name of azepan-1-yl(1H-pyrrol-3-yl)methanone (CID 110691126) is azepan-1-yl(1H-pyrrol-3-yl)methanone.
What is the SMILES notation for azepan-1-yl(1H-pyrrol-3-yl)methanone?
The canonical SMILES for azepan-1-yl(1H-pyrrol-3-yl)methanone is O=C(c1cc[nH]c1)N1CCCCCC1.
What is the InChIKey of azepan-1-yl(1H-pyrrol-3-yl)methanone?
The InChIKey is WCQCLNVWKFUHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c14-11(10-5-6-12-9-10)13-7-3-1-2-4-8-13/h5-6,9,12H,1-4,7-8H2.
What are the key properties of azepan-1-yl(1H-pyrrol-3-yl)methanone?
azepan-1-yl(1H-pyrrol-3-yl)methanone has a molecular weight of 192.26 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl(1H-pyrrol-3-yl)methanone is sourced from PubChem (CID 110691126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).