cyclopropyl-(6-methylimino-5-propan-2-ylidenecyclohexa-1,3-dien-1-yl)methanone

C14H17NO — CID 170409924

IUPACcyclopropyl-(6-methylimino-5-propan-2-ylidenecyclohexa-1,3-dien-1-yl)methanone
SMILESC/N=C1/C(C(=O)C2CC2)=CC=CC1=C(C)C
InChIInChI=1S/C14H17NO/c1-9(2)11-5-4-6-12(13(11)15-3)14(16)10-7-8-10/h4-6,10H,7-8H2,1-3H3/b15-13+
InChIKeyWOFKGBROJQZJRQ-FYWRMAATSA-N
MW215.30 g/mol
LogP2.87
Rot. Bonds2

About cyclopropyl-(6-methylimino-5-propan-2-ylidenecyclohexa-1,3-dien-1-yl)methanone

cyclopropyl-(6-methylimino-5-propan-2-ylidenecyclohexa-1,3-dien-1-yl)methanone (PubChem CID 170409924) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is cyclopropyl-(6-methylimino-5-propan-2-ylidenecyclohexa-1,3-dien-1-yl)methanone.

Molecular Properties

Compound Namecyclopropyl-(6-methylimino-5-propan-2-ylidenecyclohexa-1,3-dien-1-yl)methanone
PubChem CID170409924
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Namecyclopropyl-(6-methylimino-5-propan-2-ylidenecyclohexa-1,3-dien-1-yl)methanone
SMILESC/N=C1/C(C(=O)C2CC2)=CC=CC1=C(C)C
InChIInChI=1S/C14H17NO/c1-9(2)11-5-4-6-12(13(11)15-3)14(16)10-7-8-10/h4-6,10H,7-8H2,1-3H3/b15-13+
InChIKeyWOFKGBROJQZJRQ-FYWRMAATSA-N
XLogP2.87
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(6-Methylcyclohexa-1,3-dien-1-yl)-2-methyliminopropan-1-one
CID 143466739
1-[(3Z)-5-(cyclopropylmethyl)-3-ethylidene-4-iminocyclohexa-1,5-dien-1-yl]ethanone;ethane
CID 156809894
(3E,5Z)-8-cyclopropyl-5-ethylidene-3-methyl-6-propan-2-yliminonona-3,8-dien-2-one;ethane
CID 178777018
cyclobutyl-(3,5-dimethyl-3,4-dihydro-2H-1-benzazepin-9-yl)methanone
CID 156752497
1-[(3Z)-5-(cyclopropylmethyl)-3-ethylidene-4-iminocyclohexa-1,5-dien-1-yl]ethanone
CID 156809895
(2E,5E,7Z)-7-ethylidene-5,11-dimethyl-10-methylidene-8-propan-2-yliminododeca-2,5-dien-4-one
CID 178776923
(3E,5Z)-8-cyclopropyl-5-ethylidene-3-methyl-6-propan-2-yliminonona-3,8-dien-2-one
CID 178777019

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(6-methylimino-5-propan-2-ylidenecyclohexa-1,3-dien-1-yl)methanone?
The IUPAC name of cyclopropyl-(6-methylimino-5-propan-2-ylidenecyclohexa-1,3-dien-1-yl)methanone (CID 170409924) is cyclopropyl-(6-methylimino-5-propan-2-ylidenecyclohexa-1,3-dien-1-yl)methanone.
What is the SMILES notation for cyclopropyl-(6-methylimino-5-propan-2-ylidenecyclohexa-1,3-dien-1-yl)methanone?
The canonical SMILES for cyclopropyl-(6-methylimino-5-propan-2-ylidenecyclohexa-1,3-dien-1-yl)methanone is C/N=C1/C(C(=O)C2CC2)=CC=CC1=C(C)C.
What is the InChIKey of cyclopropyl-(6-methylimino-5-propan-2-ylidenecyclohexa-1,3-dien-1-yl)methanone?
The InChIKey is WOFKGBROJQZJRQ-FYWRMAATSA-N. The full InChI is InChI=1S/C14H17NO/c1-9(2)11-5-4-6-12(13(11)15-3)14(16)10-7-8-10/h4-6,10H,7-8H2,1-3H3/b15-13+.
What are the key properties of cyclopropyl-(6-methylimino-5-propan-2-ylidenecyclohexa-1,3-dien-1-yl)methanone?
cyclopropyl-(6-methylimino-5-propan-2-ylidenecyclohexa-1,3-dien-1-yl)methanone has a molecular weight of 215.30 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(6-methylimino-5-propan-2-ylidenecyclohexa-1,3-dien-1-yl)methanone is sourced from PubChem (CID 170409924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).