2-amino-3-methylnon-7-yn-4-one

C10H17NO — CID 116612422

IUPAC2-amino-3-methylnon-7-yn-4-one
SMILESCC#CCCC(=O)C(C)C(C)N
InChIInChI=1S/C10H17NO/c1-4-5-6-7-10(12)8(2)9(3)11/h8-9H,6-7,11H2,1-3H3
InChIKeyFUCCYQBTONLGSF-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.34
Rot. Bonds4

About 2-amino-3-methylnon-7-yn-4-one

2-amino-3-methylnon-7-yn-4-one (PubChem CID 116612422) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 2-amino-3-methylnon-7-yn-4-one.

Molecular Properties

Compound Name2-amino-3-methylnon-7-yn-4-one
PubChem CID116612422
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name2-amino-3-methylnon-7-yn-4-one
SMILESCC#CCCC(=O)C(C)C(C)N
InChIInChI=1S/C10H17NO/c1-4-5-6-7-10(12)8(2)9(3)11/h8-9H,6-7,11H2,1-3H3
InChIKeyFUCCYQBTONLGSF-UHFFFAOYSA-N
XLogP1.34
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyloct-6-yn-3-one
CID 62310972
11-amino-7-methyldodec-2-yn-6-one
CID 116574387
2-aminodec-8-yn-5-one
CID 116571844
5-amino-1-ethylsulfonyl-4-methylhexan-3-one
CID 106736924
8-aminoundec-2-yn-6-one
CID 116608034
1-amino-1-cyclopropyloct-6-yn-3-one
CID 116608937
sodium hex-4-ynoate
CID 141345346
5-amino-4-methyl-3-oxohexanamide
CID 123318073
(2R)-2-aminohept-5-ynamide
CID 55284059
1-hydroxynon-7-yn-4-one
CID 106677619
1-hydroxy-1-phenylhept-5-yn-2-one
CID 22013177
1-(propan-2-ylamino)oct-6-yn-3-one
CID 116556591

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methylnon-7-yn-4-one?
The IUPAC name of 2-amino-3-methylnon-7-yn-4-one (CID 116612422) is 2-amino-3-methylnon-7-yn-4-one.
What is the SMILES notation for 2-amino-3-methylnon-7-yn-4-one?
The canonical SMILES for 2-amino-3-methylnon-7-yn-4-one is CC#CCCC(=O)C(C)C(C)N.
What is the InChIKey of 2-amino-3-methylnon-7-yn-4-one?
The InChIKey is FUCCYQBTONLGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-4-5-6-7-10(12)8(2)9(3)11/h8-9H,6-7,11H2,1-3H3.
What are the key properties of 2-amino-3-methylnon-7-yn-4-one?
2-amino-3-methylnon-7-yn-4-one has a molecular weight of 167.25 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methylnon-7-yn-4-one is sourced from PubChem (CID 116612422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).