non-4-yn-3-one

C9H14O — CID 10887980

IUPACnon-4-yn-3-one
SMILESCCCCC#CC(=O)CC
InChIInChI=1S/C9H14O/c1-3-5-6-7-8-9(10)4-2/h3-6H2,1-2H3
InChIKeyIAWOZINVZPDCNP-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.16
Rot. Bonds3

About non-4-yn-3-one

non-4-yn-3-one (PubChem CID 10887980) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is non-4-yn-3-one.

Molecular Properties

Compound Namenon-4-yn-3-one
PubChem CID10887980
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Namenon-4-yn-3-one
SMILESCCCCC#CC(=O)CC
InChIInChI=1S/C9H14O/c1-3-5-6-7-8-9(10)4-2/h3-6H2,1-2H3
InChIKeyIAWOZINVZPDCNP-UHFFFAOYSA-N
XLogP2.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

undec-6-yn-5-one
CID 11240698
pentadec-8-yn-7-one
CID 10846701
tetradec-7-yn-6-one
CID 12537067
ethyl 6-oxododec-7-ynoate
CID 12023271
1-hydroxy-2,2-dimethyldec-5-yn-4-one
CID 102020461
2,2-dimethylnon-4-yn-3-one
CID 10773384
methyl 8-oxooctadec-9-ynoate
CID 71332554
dodeca-5,7-diyn-4-one
CID 125494229
heptadec-2-ynoic acid
CID 22600366
undec-3-yn-2-one
CID 15626863
1-[4-(2-hydroxyethyl)piperazin-1-yl]oct-3-yn-2-one
CID 153325980
N-hex-1-ynylpropanamide
CID 118524998

Frequently Asked Questions

What is the IUPAC name of non-4-yn-3-one?
The IUPAC name of non-4-yn-3-one (CID 10887980) is non-4-yn-3-one.
What is the SMILES notation for non-4-yn-3-one?
The canonical SMILES for non-4-yn-3-one is CCCCC#CC(=O)CC.
What is the InChIKey of non-4-yn-3-one?
The InChIKey is IAWOZINVZPDCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-3-5-6-7-8-9(10)4-2/h3-6H2,1-2H3.
What are the key properties of non-4-yn-3-one?
non-4-yn-3-one has a molecular weight of 138.21 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for non-4-yn-3-one is sourced from PubChem (CID 10887980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).