2-nitrosopent-2-en-3-ylbenzene

C11H13NO — CID 90886077

IUPAC2-nitrosopent-2-en-3-ylbenzene
SMILESCCC(=C(C)N=O)c1ccccc1
InChIInChI=1S/C11H13NO/c1-3-11(9(2)12-13)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3
InChIKeyAJFSAABPLMCUTM-UHFFFAOYSA-N
MW175.23 g/mol
LogP3.59
Rot. Bonds3

About 2-nitrosopent-2-en-3-ylbenzene

2-nitrosopent-2-en-3-ylbenzene (PubChem CID 90886077) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-nitrosopent-2-en-3-ylbenzene.

Molecular Properties

Compound Name2-nitrosopent-2-en-3-ylbenzene
PubChem CID90886077
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name2-nitrosopent-2-en-3-ylbenzene
SMILESCCC(=C(C)N=O)c1ccccc1
InChIInChI=1S/C11H13NO/c1-3-11(9(2)12-13)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3
InChIKeyAJFSAABPLMCUTM-UHFFFAOYSA-N
XLogP3.59
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-nitrosopent-2-en-3-ylbenzene 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

[(Z)-4-methylhex-3-en-3-yl]benzene
CID 142361639
(E)-2-methyl-3-phenylpent-2-en-1-ol
CID 134126530
(E)-2-methyl-3-phenylpent-2-enamide
CID 66881626
2-acetyl-3-phenylpent-2-enoic acid
CID 150438559
(Z)-2,3-diphenylpent-2-enoic acid
CID 67236453
4-phenylhex-3-en-3-amine
CID 140615450
chloro 2-methyl-3-phenylpent-2-enoate
CID 174505232
acetic acid;4-(1,2-diphenylbut-1-enyl)phenol
CID 71332420
ethyl (Z)-2-methyl-3-phenylpent-2-enoate
CID 15743107
ethyl (E)-2-methyl-3-phenylpent-2-enoate
CID 11310524
(Z)-2-chloro-3-phenylpent-2-enamide
CID 22020272
1,1-diethoxybut-1-en-2-ylbenzene
CID 66973345

Frequently Asked Questions

What is the IUPAC name of 2-nitrosopent-2-en-3-ylbenzene?
The IUPAC name of 2-nitrosopent-2-en-3-ylbenzene (CID 90886077) is 2-nitrosopent-2-en-3-ylbenzene.
What is the SMILES notation for 2-nitrosopent-2-en-3-ylbenzene?
The canonical SMILES for 2-nitrosopent-2-en-3-ylbenzene is CCC(=C(C)N=O)c1ccccc1.
What is the InChIKey of 2-nitrosopent-2-en-3-ylbenzene?
The InChIKey is AJFSAABPLMCUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-3-11(9(2)12-13)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3.
What are the key properties of 2-nitrosopent-2-en-3-ylbenzene?
2-nitrosopent-2-en-3-ylbenzene has a molecular weight of 175.23 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitrosopent-2-en-3-ylbenzene is sourced from PubChem (CID 90886077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).