(Z)-5-methylidenehept-3-en-2-one

C8H12O — CID 123321874

IUPAC(Z)-5-methylidenehept-3-en-2-one
SMILESC=C(/C=C\C(C)=O)CC
InChIInChI=1S/C8H12O/c1-4-7(2)5-6-8(3)9/h5-6H,2,4H2,1,3H3/b6-5-
InChIKeyLFFJNPSTVBKEDH-WAYWQWQTSA-N
MW124.18 g/mol
LogP2.10
Rot. Bonds3

About (Z)-5-methylidenehept-3-en-2-one

(Z)-5-methylidenehept-3-en-2-one (PubChem CID 123321874) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is (Z)-5-methylidenehept-3-en-2-one.

Molecular Properties

Compound Name(Z)-5-methylidenehept-3-en-2-one
PubChem CID123321874
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name(Z)-5-methylidenehept-3-en-2-one
SMILESC=C(/C=C\C(C)=O)CC
InChIInChI=1S/C8H12O/c1-4-7(2)5-6-8(3)9/h5-6H,2,4H2,1,3H3/b6-5-
InChIKeyLFFJNPSTVBKEDH-WAYWQWQTSA-N
XLogP2.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

ethene;(3Z,7Z)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene
CID 145059823
(3Z,7Z)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene;propane
CID 144723415
prop-1-ene;(4Z,8Z)-3,6,7,10-tetramethylidenedodeca-4,8-diene
CID 144612607
(E)-hex-3-ene-2,5-dione
CID 5363639
ethyl (E)-4-methylidenehex-2-enoate
CID 11126476
2-bromo-5-methylidenehepta-1,3-diene
CID 123950056
(2Z,4Z)-2-chloro-6-methylideneocta-2,4-dien-3-ol
CID 142113261
propane;(3Z,7Z)-5,6,9-trimethylideneundeca-1,3,7-trien-2-ol
CID 142281411
(Z)-2,3,6-trimethylidene-N-prop-1-en-2-yloct-4-en-1-imine
CID 145480541
(E)-3-methylidenepent-1-en-1-amine
CID 154554960
methane;(4Z)-2-methyl-6-methylideneocta-2,4-diene
CID 145083529
(3Z)-N,N-diethyl-5-methylidenehepta-1,3-dien-2-amine
CID 142937124

Frequently Asked Questions

What is the IUPAC name of (Z)-5-methylidenehept-3-en-2-one?
The IUPAC name of (Z)-5-methylidenehept-3-en-2-one (CID 123321874) is (Z)-5-methylidenehept-3-en-2-one.
What is the SMILES notation for (Z)-5-methylidenehept-3-en-2-one?
The canonical SMILES for (Z)-5-methylidenehept-3-en-2-one is C=C(/C=C\C(C)=O)CC.
What is the InChIKey of (Z)-5-methylidenehept-3-en-2-one?
The InChIKey is LFFJNPSTVBKEDH-WAYWQWQTSA-N. The full InChI is InChI=1S/C8H12O/c1-4-7(2)5-6-8(3)9/h5-6H,2,4H2,1,3H3/b6-5-.
What are the key properties of (Z)-5-methylidenehept-3-en-2-one?
(Z)-5-methylidenehept-3-en-2-one has a molecular weight of 124.18 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-methylidenehept-3-en-2-one is sourced from PubChem (CID 123321874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).