cyclohexyl(3,4-dihydro-2H-pyrrol-5-yl)methanone

C11H17NO — CID 83963278

IUPACcyclohexyl(3,4-dihydro-2H-pyrrol-5-yl)methanone
SMILESO=C(C1=NCCC1)C1CCCCC1
InChIInChI=1S/C11H17NO/c13-11(10-7-4-8-12-10)9-5-2-1-3-6-9/h9H,1-8H2
InChIKeyDNRFGKPZOOJWBV-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.37
Rot. Bonds2

About cyclohexyl(3,4-dihydro-2H-pyrrol-5-yl)methanone

cyclohexyl(3,4-dihydro-2H-pyrrol-5-yl)methanone (PubChem CID 83963278) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is cyclohexyl(3,4-dihydro-2H-pyrrol-5-yl)methanone.

Molecular Properties

Compound Namecyclohexyl(3,4-dihydro-2H-pyrrol-5-yl)methanone
PubChem CID83963278
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Namecyclohexyl(3,4-dihydro-2H-pyrrol-5-yl)methanone
SMILESO=C(C1=NCCC1)C1CCCCC1
InChIInChI=1S/C11H17NO/c13-11(10-7-4-8-12-10)9-5-2-1-3-6-9/h9H,1-8H2
InChIKeyDNRFGKPZOOJWBV-UHFFFAOYSA-N
XLogP2.37
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Azacyclotridec-1-EN-2-YL)-1-cyclohexanone
CID 4096510
N-(2-Acetylcyclopentylidene)cyclohexylamine
CID 610112
Azabicyclo[4,3,0]nonen-8-one
CID 129696945
(3aR,7aS)-3-(2,2-dimethylpropanoyl)-1,3a,5,6,7,7a-hexahydroisoindol-4-one
CID 134901569
1-[(3aR,4R)-3,3a,4,5,6,7-hexahydro-2H-indol-4-yl]propan-2-one
CID 135075822
N-(2-Acetylcyclohexylidene)cyclohexylamine
CID 539371
3,4,4a,6,7,8-hexahydro-2H-quinolin-5-one
CID 54012177
7,7-Dimethyl-2,3,4,4a,6,8-hexahydroquinolin-5-one
CID 54017108
2-(3,4-dihydro-2H-pyrrol-5-yl)-5-propan-2-ylcyclohexane-1,3-dione
CID 54064170
5-butan-2-yl-2-(3,4-dihydro-2H-pyrrol-5-yl)cyclohexane-1,3-dione
CID 54180103
1-(6-butyl-2,4,4-trimethyl-3,5-dihydro-2H-pyridin-5-yl)ethanone
CID 54291385
1-(4,4-dimethyl-3,5-dihydro-2H-pyridin-6-yl)propan-1-one
CID 54399934

Frequently Asked Questions

What is the IUPAC name of cyclohexyl(3,4-dihydro-2H-pyrrol-5-yl)methanone?
The IUPAC name of cyclohexyl(3,4-dihydro-2H-pyrrol-5-yl)methanone (CID 83963278) is cyclohexyl(3,4-dihydro-2H-pyrrol-5-yl)methanone.
What is the SMILES notation for cyclohexyl(3,4-dihydro-2H-pyrrol-5-yl)methanone?
The canonical SMILES for cyclohexyl(3,4-dihydro-2H-pyrrol-5-yl)methanone is O=C(C1=NCCC1)C1CCCCC1.
What is the InChIKey of cyclohexyl(3,4-dihydro-2H-pyrrol-5-yl)methanone?
The InChIKey is DNRFGKPZOOJWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c13-11(10-7-4-8-12-10)9-5-2-1-3-6-9/h9H,1-8H2.
What are the key properties of cyclohexyl(3,4-dihydro-2H-pyrrol-5-yl)methanone?
cyclohexyl(3,4-dihydro-2H-pyrrol-5-yl)methanone has a molecular weight of 179.26 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl(3,4-dihydro-2H-pyrrol-5-yl)methanone is sourced from PubChem (CID 83963278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).