(Z)-6-nitroso-3-propan-2-ylhex-2-ene

C9H17NO — CID 163554902

IUPAC(Z)-6-nitroso-3-propan-2-ylhex-2-ene
SMILESC/C=C(/CCCN=O)C(C)C
InChIInChI=1S/C9H17NO/c1-4-9(8(2)3)6-5-7-10-11/h4,8H,5-7H2,1-3H3/b9-4-
InChIKeyFMEXHAWSILBKGH-WTKPLQERSA-N
MW155.24 g/mol
LogP3.14
Rot. Bonds5

About (Z)-6-nitroso-3-propan-2-ylhex-2-ene

(Z)-6-nitroso-3-propan-2-ylhex-2-ene (PubChem CID 163554902) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (Z)-6-nitroso-3-propan-2-ylhex-2-ene.

Molecular Properties

Compound Name(Z)-6-nitroso-3-propan-2-ylhex-2-ene
PubChem CID163554902
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(Z)-6-nitroso-3-propan-2-ylhex-2-ene
SMILESC/C=C(/CCCN=O)C(C)C
InChIInChI=1S/C9H17NO/c1-4-9(8(2)3)6-5-7-10-11/h4,8H,5-7H2,1-3H3/b9-4-
InChIKeyFMEXHAWSILBKGH-WTKPLQERSA-N
XLogP3.14
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-6-nitroso-3-propan-2-ylhex-2-ene 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

(E)-3-propan-2-ylhex-2-ene
CID 142020071
(E)-6-nitrosohex-2-ene
CID 89018657
(Z)-6,7-dimethyl-3-propan-2-yloct-2-ene
CID 58663285
8-methyl-1-nitrosononane
CID 163867680
ethane;(5E)-5-propan-2-ylhepta-1,5-diene
CID 142226106
2-propan-2-ylbut-2-en-1-ol
CID 76567926
(E)-5,9,13,17-tetramethyl-1-nitrosooctadec-4-ene
CID 88939219
1-iodo-4-nitrosobutane
CID 163865230
8-nitrosooctan-3-one
CID 90742568
10-nitrosodecanamide
CID 146175538
azane;1-nitrosopentane
CID 174758116
ethane;1-nitrosobutane;pentane
CID 144748325

Frequently Asked Questions

What is the IUPAC name of (Z)-6-nitroso-3-propan-2-ylhex-2-ene?
The IUPAC name of (Z)-6-nitroso-3-propan-2-ylhex-2-ene (CID 163554902) is (Z)-6-nitroso-3-propan-2-ylhex-2-ene.
What is the SMILES notation for (Z)-6-nitroso-3-propan-2-ylhex-2-ene?
The canonical SMILES for (Z)-6-nitroso-3-propan-2-ylhex-2-ene is C/C=C(/CCCN=O)C(C)C.
What is the InChIKey of (Z)-6-nitroso-3-propan-2-ylhex-2-ene?
The InChIKey is FMEXHAWSILBKGH-WTKPLQERSA-N. The full InChI is InChI=1S/C9H17NO/c1-4-9(8(2)3)6-5-7-10-11/h4,8H,5-7H2,1-3H3/b9-4-.
What are the key properties of (Z)-6-nitroso-3-propan-2-ylhex-2-ene?
(Z)-6-nitroso-3-propan-2-ylhex-2-ene has a molecular weight of 155.24 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-nitroso-3-propan-2-ylhex-2-ene is sourced from PubChem (CID 163554902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).