N-[[3-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]methylidene]hydroxylamine

C13H21NO — CID 3019909

IUPACN-[[3-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]methylidene]hydroxylamine
SMILESCC(C)=CCCC1=CCCC(C=NO)C1
InChIInChI=1S/C13H21NO/c1-11(2)5-3-6-12-7-4-8-13(9-12)10-14-15/h5,7,10,13,15H,3-4,6,8-9H2,1-2H3
InChIKeyQFZUHQAWVLNDNB-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.92
Rot. Bonds4

About N-[[3-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]methylidene]hydroxylamine

N-[[3-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]methylidene]hydroxylamine (PubChem CID 3019909) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N-[[3-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[3-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]methylidene]hydroxylamine
PubChem CID3019909
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN-[[3-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]methylidene]hydroxylamine
SMILESCC(C)=CCCC1=CCCC(C=NO)C1
InChIInChI=1S/C13H21NO/c1-11(2)5-3-6-12-7-4-8-13(9-12)10-14-15/h5,7,10,13,15H,3-4,6,8-9H2,1-2H3
InChIKeyQFZUHQAWVLNDNB-UHFFFAOYSA-N
XLogP3.92
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]methylidene]hydroxylamine?
The IUPAC name of N-[[3-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]methylidene]hydroxylamine (CID 3019909) is N-[[3-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]methylidene]hydroxylamine.
What is the SMILES notation for N-[[3-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]methylidene]hydroxylamine?
The canonical SMILES for N-[[3-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]methylidene]hydroxylamine is CC(C)=CCCC1=CCCC(C=NO)C1.
What is the InChIKey of N-[[3-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]methylidene]hydroxylamine?
The InChIKey is QFZUHQAWVLNDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-11(2)5-3-6-12-7-4-8-13(9-12)10-14-15/h5,7,10,13,15H,3-4,6,8-9H2,1-2H3.
What are the key properties of N-[[3-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]methylidene]hydroxylamine?
N-[[3-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]methylidene]hydroxylamine has a molecular weight of 207.32 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]methylidene]hydroxylamine is sourced from PubChem (CID 3019909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).