2-imino-4-methylpent-3-enoic acid

C6H9NO2 — CID 143316665

IUPAC2-imino-4-methylpent-3-enoic acid
SMILES[H]/N=C(\C=C(C)C)C(=O)O
InChIInChI=1S/C6H9NO2/c1-4(2)3-5(7)6(8)9/h3,7H,1-2H3,(H,8,9)/b7-5+
InChIKeyOIQUIPGILCJSJP-FNORWQNLSA-N
MW127.14 g/mol
LogP1.06
Rot. Bonds2

About 2-imino-4-methylpent-3-enoic acid

2-imino-4-methylpent-3-enoic acid (PubChem CID 143316665) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is 2-imino-4-methylpent-3-enoic acid.

Molecular Properties

Compound Name2-imino-4-methylpent-3-enoic acid
PubChem CID143316665
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name2-imino-4-methylpent-3-enoic acid
SMILES[H]/N=C(\C=C(C)C)C(=O)O
InChIInChI=1S/C6H9NO2/c1-4(2)3-5(7)6(8)9/h3,7H,1-2H3,(H,8,9)/b7-5+
InChIKeyOIQUIPGILCJSJP-FNORWQNLSA-N
XLogP1.06
TPSA61.15 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-4-amino-6-ethoxy-2-imino-6-oxohex-3-enoic acid
CID 142996179
2-ethenyl-5-imino-4-methylidenehex-2-enoic acid
CID 123678860
(E)-3-hydroxy-2-methanimidoylbut-2-enoic acid
CID 135706819
3-methylbut-2-enoic acid;propan-2-one
CID 174970520
azane;3-methylbut-2-enoic acid
CID 21422194
[(Z)-4-imino-5-methoxy-5-oxopent-2-en-2-yl]oxidanium
CID 163985727
calcium;hydride;3-methylbut-2-enoic acid
CID 175564859
ethene;3-methylbut-2-enoic acid
CID 157400085
2-bromo-2-iminoacetic acid
CID 151498749
2-(1-bromoethylimino)-3-imino-5-methylhept-4-enoic acid
CID 90753191
5-methylhexa-1,4-dien-3-imine
CID 130197601
2-methylbut-2-enoic acid;3-methylbut-2-enoic acid
CID 158806773

Frequently Asked Questions

What is the IUPAC name of 2-imino-4-methylpent-3-enoic acid?
The IUPAC name of 2-imino-4-methylpent-3-enoic acid (CID 143316665) is 2-imino-4-methylpent-3-enoic acid.
What is the SMILES notation for 2-imino-4-methylpent-3-enoic acid?
The canonical SMILES for 2-imino-4-methylpent-3-enoic acid is [H]/N=C(\C=C(C)C)C(=O)O.
What is the InChIKey of 2-imino-4-methylpent-3-enoic acid?
The InChIKey is OIQUIPGILCJSJP-FNORWQNLSA-N. The full InChI is InChI=1S/C6H9NO2/c1-4(2)3-5(7)6(8)9/h3,7H,1-2H3,(H,8,9)/b7-5+.
What are the key properties of 2-imino-4-methylpent-3-enoic acid?
2-imino-4-methylpent-3-enoic acid has a molecular weight of 127.14 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-4-methylpent-3-enoic acid is sourced from PubChem (CID 143316665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).