1-methyl-4-(4-nitrosobut-1-en-2-yl)cyclohexane

C11H19NO — CID 142613553

IUPAC1-methyl-4-(4-nitrosobut-1-en-2-yl)cyclohexane
SMILESC=C(CCN=O)C1CCC(C)CC1
InChIInChI=1S/C11H19NO/c1-9-3-5-11(6-4-9)10(2)7-8-12-13/h9,11H,2-8H2,1H3
InChIKeyBKADYNYBFLUDPB-UHFFFAOYSA-N
MW181.28 g/mol
LogP3.53
Rot. Bonds4

About 1-methyl-4-(4-nitrosobut-1-en-2-yl)cyclohexane

1-methyl-4-(4-nitrosobut-1-en-2-yl)cyclohexane (PubChem CID 142613553) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-methyl-4-(4-nitrosobut-1-en-2-yl)cyclohexane.

Molecular Properties

Compound Name1-methyl-4-(4-nitrosobut-1-en-2-yl)cyclohexane
PubChem CID142613553
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-methyl-4-(4-nitrosobut-1-en-2-yl)cyclohexane
SMILESC=C(CCN=O)C1CCC(C)CC1
InChIInChI=1S/C11H19NO/c1-9-3-5-11(6-4-9)10(2)7-8-12-13/h9,11H,2-8H2,1H3
InChIKeyBKADYNYBFLUDPB-UHFFFAOYSA-N
XLogP3.53
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-methyl-4-(4-nitrosobut-1-en-2-yl)cyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-methylcyclohexyl)pentan-1-one
CID 62621945
isocyanic acid;1-methyl-4-prop-1-en-2-ylcyclohexane
CID 87750066
3-but-1-en-2-yl-1-ethyl-6-methylazepane
CID 167137388
(Z)-N-methyl-2-[1-(4-methylcyclohexyl)ethenyl]hept-1-en-1-amine
CID 155129918
2-(3-cyclopropylbut-3-enyl)-1,1-dimethylcyclopropane
CID 162349015
2-but-1-en-2-yl-5-methylcyclohexan-1-ol
CID 85263712
4-methyl-1-pent-1-en-2-ylpiperidine
CID 143498403
1,4-dimethylcyclohexane;methanol
CID 70358527
1-(3,4-dimethylpenta-1,3-dien-2-yl)-4-methylcyclohexane
CID 163611322
1-(4-methylcyclohexyl)-4-methylsulfonylbutan-1-one
CID 63192568
N-(2-bromoprop-2-enyl)-4-methylcyclohexane-1-carboxamide
CID 115647439
methanamine;5-(4-sulfanylcyclohexyl)hex-5-en-2-one
CID 142542101

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-nitrosobut-1-en-2-yl)cyclohexane?
The IUPAC name of 1-methyl-4-(4-nitrosobut-1-en-2-yl)cyclohexane (CID 142613553) is 1-methyl-4-(4-nitrosobut-1-en-2-yl)cyclohexane.
What is the SMILES notation for 1-methyl-4-(4-nitrosobut-1-en-2-yl)cyclohexane?
The canonical SMILES for 1-methyl-4-(4-nitrosobut-1-en-2-yl)cyclohexane is C=C(CCN=O)C1CCC(C)CC1.
What is the InChIKey of 1-methyl-4-(4-nitrosobut-1-en-2-yl)cyclohexane?
The InChIKey is BKADYNYBFLUDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-9-3-5-11(6-4-9)10(2)7-8-12-13/h9,11H,2-8H2,1H3.
What are the key properties of 1-methyl-4-(4-nitrosobut-1-en-2-yl)cyclohexane?
1-methyl-4-(4-nitrosobut-1-en-2-yl)cyclohexane has a molecular weight of 181.28 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-nitrosobut-1-en-2-yl)cyclohexane is sourced from PubChem (CID 142613553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).