(Z)-5-imino-3-methanimidoyl-2-methylpent-2-enoic acid

C7H10N2O2 — CID 123346126

IUPAC(Z)-5-imino-3-methanimidoyl-2-methylpent-2-enoic acid
SMILES[H]/N=C/CC(/C=N/[H])=C(\C)C(=O)O
InChIInChI=1S/C7H10N2O2/c1-5(7(10)11)6(4-9)2-3-8/h3-4,8-9H,2H2,1H3,(H,10,11)/b6-5-,8-3+,9-4+
InChIKeyHDKFNFQDDOZPSK-IUZLIDICSA-N
MW154.17 g/mol
LogP1.08
Rot. Bonds4

About (Z)-5-imino-3-methanimidoyl-2-methylpent-2-enoic acid

(Z)-5-imino-3-methanimidoyl-2-methylpent-2-enoic acid (PubChem CID 123346126) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is (Z)-5-imino-3-methanimidoyl-2-methylpent-2-enoic acid.

Molecular Properties

Compound Name(Z)-5-imino-3-methanimidoyl-2-methylpent-2-enoic acid
PubChem CID123346126
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name(Z)-5-imino-3-methanimidoyl-2-methylpent-2-enoic acid
SMILES[H]/N=C/CC(/C=N/[H])=C(\C)C(=O)O
InChIInChI=1S/C7H10N2O2/c1-5(7(10)11)6(4-9)2-3-8/h3-4,8-9H,2H2,1H3,(H,10,11)/b6-5-,8-3+,9-4+
InChIKeyHDKFNFQDDOZPSK-IUZLIDICSA-N
XLogP1.08
TPSA85.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-5-imino-3-methanimidoyl-2-methylpent-2-enoic acid?
The IUPAC name of (Z)-5-imino-3-methanimidoyl-2-methylpent-2-enoic acid (CID 123346126) is (Z)-5-imino-3-methanimidoyl-2-methylpent-2-enoic acid.
What is the SMILES notation for (Z)-5-imino-3-methanimidoyl-2-methylpent-2-enoic acid?
The canonical SMILES for (Z)-5-imino-3-methanimidoyl-2-methylpent-2-enoic acid is [H]/N=C/CC(/C=N/[H])=C(\C)C(=O)O.
What is the InChIKey of (Z)-5-imino-3-methanimidoyl-2-methylpent-2-enoic acid?
The InChIKey is HDKFNFQDDOZPSK-IUZLIDICSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-5(7(10)11)6(4-9)2-3-8/h3-4,8-9H,2H2,1H3,(H,10,11)/b6-5-,8-3+,9-4+.
What are the key properties of (Z)-5-imino-3-methanimidoyl-2-methylpent-2-enoic acid?
(Z)-5-imino-3-methanimidoyl-2-methylpent-2-enoic acid has a molecular weight of 154.17 g/mol, XLogP of 1.08, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-imino-3-methanimidoyl-2-methylpent-2-enoic acid is sourced from PubChem (CID 123346126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).