ethene;2-methylidenepent-4-enoic acid

C8H12O2 — CID 174232070

IUPACethene;2-methylidenepent-4-enoic acid
SMILESC=C.C=CCC(=C)C(=O)O
InChIInChI=1S/C6H8O2.C2H4/c1-3-4-5(2)6(7)8;1-2/h3H,1-2,4H2,(H,7,8);1-2H2
InChIKeyFLNQCQGENPJMHM-UHFFFAOYSA-N
MW140.18 g/mol
LogP2.01
Rot. Bonds3

About ethene;2-methylidenepent-4-enoic acid

ethene;2-methylidenepent-4-enoic acid (PubChem CID 174232070) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is ethene;2-methylidenepent-4-enoic acid.

Molecular Properties

Compound Nameethene;2-methylidenepent-4-enoic acid
PubChem CID174232070
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Nameethene;2-methylidenepent-4-enoic acid
SMILESC=C.C=CCC(=C)C(=O)O
InChIInChI=1S/C6H8O2.C2H4/c1-3-4-5(2)6(7)8;1-2/h3H,1-2,4H2,(H,7,8);1-2H2
InChIKeyFLNQCQGENPJMHM-UHFFFAOYSA-N
XLogP2.01
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4E)-2-methylideneocta-4,7-dienoic acid
CID 135037319
5,5-dihydroxy-2-methylidenepent-4-enoic acid
CID 87724268
(E)-2,3-bis(prop-2-enyl)but-2-enedioic acid
CID 87162043
carbonic acid;4-methylidenehepta-1,6-diene
CID 88505176
azane;2-methylidenepent-4-enamide
CID 87195427
2-hydroxyacetic acid;2-methylidenepent-4-enamide;prop-2-en-1-ol
CID 174416041
ethene;ethenoxyethene;2-methylidenebutanedioic acid
CID 173139326
carbonic acid;4,5-dichloroocta-1,4,7-triene
CID 173029728
but-3-enoic acid;dichloromethane
CID 174886985
sulfino 2-methylidenepent-4-enoate
CID 122573770
carbamoyl 2-methylidenepent-4-eneperoxoate
CID 87501876
4-but-3-enoxy-2-methylidenebutanoic acid
CID 89346702

Frequently Asked Questions

What is the IUPAC name of ethene;2-methylidenepent-4-enoic acid?
The IUPAC name of ethene;2-methylidenepent-4-enoic acid (CID 174232070) is ethene;2-methylidenepent-4-enoic acid.
What is the SMILES notation for ethene;2-methylidenepent-4-enoic acid?
The canonical SMILES for ethene;2-methylidenepent-4-enoic acid is C=C.C=CCC(=C)C(=O)O.
What is the InChIKey of ethene;2-methylidenepent-4-enoic acid?
The InChIKey is FLNQCQGENPJMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O2.C2H4/c1-3-4-5(2)6(7)8;1-2/h3H,1-2,4H2,(H,7,8);1-2H2.
What are the key properties of ethene;2-methylidenepent-4-enoic acid?
ethene;2-methylidenepent-4-enoic acid has a molecular weight of 140.18 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;2-methylidenepent-4-enoic acid is sourced from PubChem (CID 174232070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).