(2Z,4Z)-5-methyl-1-nitrosoocta-2,4-diene

C9H15NO — CID 163604604

IUPAC(2Z,4Z)-5-methyl-1-nitrosoocta-2,4-diene
SMILESCCC/C(C)=C\C=C/CN=O
InChIInChI=1S/C9H15NO/c1-3-6-9(2)7-4-5-8-10-11/h4-5,7H,3,6,8H2,1-2H3/b5-4-,9-7-
InChIKeyHAQVFVJAPCEMNS-PHSHQRSZSA-N
MW153.22 g/mol
LogP3.06
Rot. Bonds5

About (2Z,4Z)-5-methyl-1-nitrosoocta-2,4-diene

(2Z,4Z)-5-methyl-1-nitrosoocta-2,4-diene (PubChem CID 163604604) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (2Z,4Z)-5-methyl-1-nitrosoocta-2,4-diene.

Molecular Properties

Compound Name(2Z,4Z)-5-methyl-1-nitrosoocta-2,4-diene
PubChem CID163604604
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(2Z,4Z)-5-methyl-1-nitrosoocta-2,4-diene
SMILESCCC/C(C)=C\C=C/CN=O
InChIInChI=1S/C9H15NO/c1-3-6-9(2)7-4-5-8-10-11/h4-5,7H,3,6,8H2,1-2H3/b5-4-,9-7-
InChIKeyHAQVFVJAPCEMNS-PHSHQRSZSA-N
XLogP3.06
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2Z,4Z)-5-methyl-1-nitrosoocta-2,4-diene 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

(3E,5E)-N,N-dimethyl-7-nitrosohepta-1,3,5-trien-3-amine
CID 135293917
3,7-dimethyldeca-1,4,6-triene
CID 123725882
(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyl-1-nitrosotetracosa-2,6,10,14,18,22-hexaene
CID 118054389
(2E,4E)-5-methyldeca-2,4-diene
CID 14899750
(2E,4E)-2-methylhepta-2,4-dien-1-ol
CID 173250100
2-methyl-1-(2-methylpent-1-enylsulfonyl)pent-1-ene
CID 57106864
N-[(E)-2-methylpent-1-enyl]methanimine
CID 142044769
1-iodo-2-methylpent-1-ene
CID 73232688
(2E,4E)-5-methyldodeca-2,4-diene
CID 143978306
(2E,4Z)-2-methylhepta-2,4-diene-1-thiol
CID 145391343
(6E,8E)-6,9-dimethyltetradeca-6,8-diene
CID 16741365
2-methyl-1-(2-methylpent-1-enyldisulfanyl)pent-1-ene
CID 175555923

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-5-methyl-1-nitrosoocta-2,4-diene?
The IUPAC name of (2Z,4Z)-5-methyl-1-nitrosoocta-2,4-diene (CID 163604604) is (2Z,4Z)-5-methyl-1-nitrosoocta-2,4-diene.
What is the SMILES notation for (2Z,4Z)-5-methyl-1-nitrosoocta-2,4-diene?
The canonical SMILES for (2Z,4Z)-5-methyl-1-nitrosoocta-2,4-diene is CCC/C(C)=C\C=C/CN=O.
What is the InChIKey of (2Z,4Z)-5-methyl-1-nitrosoocta-2,4-diene?
The InChIKey is HAQVFVJAPCEMNS-PHSHQRSZSA-N. The full InChI is InChI=1S/C9H15NO/c1-3-6-9(2)7-4-5-8-10-11/h4-5,7H,3,6,8H2,1-2H3/b5-4-,9-7-.
What are the key properties of (2Z,4Z)-5-methyl-1-nitrosoocta-2,4-diene?
(2Z,4Z)-5-methyl-1-nitrosoocta-2,4-diene has a molecular weight of 153.22 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-5-methyl-1-nitrosoocta-2,4-diene is sourced from PubChem (CID 163604604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).