4-(methylamino)non-8-en-3-one

C10H19NO — CID 123655822

IUPAC4-(methylamino)non-8-en-3-one
SMILESC=CCCCC(NC)C(=O)CC
InChIInChI=1S/C10H19NO/c1-4-6-7-8-9(11-3)10(12)5-2/h4,9,11H,1,5-8H2,2-3H3
InChIKeyQHNWRESVTDTXTI-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.91
Rot. Bonds7

About 4-(methylamino)non-8-en-3-one

4-(methylamino)non-8-en-3-one (PubChem CID 123655822) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 4-(methylamino)non-8-en-3-one.

Molecular Properties

Compound Name4-(methylamino)non-8-en-3-one
PubChem CID123655822
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name4-(methylamino)non-8-en-3-one
SMILESC=CCCCC(NC)C(=O)CC
InChIInChI=1S/C10H19NO/c1-4-6-7-8-9(11-3)10(12)5-2/h4,9,11H,1,5-8H2,2-3H3
InChIKeyQHNWRESVTDTXTI-UHFFFAOYSA-N
XLogP1.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4S)-4-(prop-2-enylamino)hept-6-en-3-one
CID 51003257
(E)-7-fluoro-4-(propan-2-ylamino)hept-6-en-3-one
CID 168178405
1-[(2R,3S)-3-but-3-enylaziridin-2-yl]ethanone
CID 135032143
(1-Amino-4-oxotetradec-13-en-3-yl)-trimethylazanium
CID 17770526
1-(1,2,3,4-Tetrahydropyridin-2-yl)propan-1-one
CID 18676628
1-(Azocan-2-yl)prop-2-en-1-one
CID 19081022
(Z)-3-(methylamino)oct-6-en-4-one
CID 53826290
1-(2,5-dihydro-1H-pyrrol-2-yl)nonan-1-one
CID 57166444
(4S)-2,4-dimethyl-4-(propan-2-ylamino)non-8-en-3-one
CID 58307974
(4R)-2,4-dimethyl-4-(propan-2-ylamino)non-8-en-3-one
CID 58307983
1-(6-Methylpiperidin-2-yl)pent-4-en-1-one
CID 67498471
trans-2-Methyl-6-(ethenyl propionyl)piperidine
CID 67498472

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)non-8-en-3-one?
The IUPAC name of 4-(methylamino)non-8-en-3-one (CID 123655822) is 4-(methylamino)non-8-en-3-one.
What is the SMILES notation for 4-(methylamino)non-8-en-3-one?
The canonical SMILES for 4-(methylamino)non-8-en-3-one is C=CCCCC(NC)C(=O)CC.
What is the InChIKey of 4-(methylamino)non-8-en-3-one?
The InChIKey is QHNWRESVTDTXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-6-7-8-9(11-3)10(12)5-2/h4,9,11H,1,5-8H2,2-3H3.
What are the key properties of 4-(methylamino)non-8-en-3-one?
4-(methylamino)non-8-en-3-one has a molecular weight of 169.27 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)non-8-en-3-one is sourced from PubChem (CID 123655822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).