(5S)-3,5-dimethyl-6-nitrosohept-1-ene

C9H17NO — CID 174002272

IUPAC(5S)-3,5-dimethyl-6-nitrosohept-1-ene
SMILESC=CC(C)C[C@H](C)C(C)N=O
InChIInChI=1S/C9H17NO/c1-5-7(2)6-8(3)9(4)10-11/h5,7-9H,1,6H2,2-4H3/t7?,8-,9?/m0/s1
InChIKeyQHGHLLHCRVTWLX-MGURRDGZSA-N
MW155.24 g/mol
LogP2.99
Rot. Bonds5

About (5S)-3,5-dimethyl-6-nitrosohept-1-ene

(5S)-3,5-dimethyl-6-nitrosohept-1-ene (PubChem CID 174002272) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (5S)-3,5-dimethyl-6-nitrosohept-1-ene.

Molecular Properties

Compound Name(5S)-3,5-dimethyl-6-nitrosohept-1-ene
PubChem CID174002272
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(5S)-3,5-dimethyl-6-nitrosohept-1-ene
SMILESC=CC(C)C[C@H](C)C(C)N=O
InChIInChI=1S/C9H17NO/c1-5-7(2)6-8(3)9(4)10-11/h5,7-9H,1,6H2,2-4H3/t7?,8-,9?/m0/s1
InChIKeyQHGHLLHCRVTWLX-MGURRDGZSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-3,5-dimethyl-6-nitrosohept-1-ene?
The IUPAC name of (5S)-3,5-dimethyl-6-nitrosohept-1-ene (CID 174002272) is (5S)-3,5-dimethyl-6-nitrosohept-1-ene.
What is the SMILES notation for (5S)-3,5-dimethyl-6-nitrosohept-1-ene?
The canonical SMILES for (5S)-3,5-dimethyl-6-nitrosohept-1-ene is C=CC(C)C[C@H](C)C(C)N=O.
What is the InChIKey of (5S)-3,5-dimethyl-6-nitrosohept-1-ene?
The InChIKey is QHGHLLHCRVTWLX-MGURRDGZSA-N. The full InChI is InChI=1S/C9H17NO/c1-5-7(2)6-8(3)9(4)10-11/h5,7-9H,1,6H2,2-4H3/t7?,8-,9?/m0/s1.
What are the key properties of (5S)-3,5-dimethyl-6-nitrosohept-1-ene?
(5S)-3,5-dimethyl-6-nitrosohept-1-ene has a molecular weight of 155.24 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3,5-dimethyl-6-nitrosohept-1-ene is sourced from PubChem (CID 174002272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).