(Z)-2-methyl-4-(propylideneamino)pent-3-enoic acid

C9H15NO2 — CID 118281600

IUPAC(Z)-2-methyl-4-(propylideneamino)pent-3-enoic acid
SMILESCC/C=N/C(C)=C\C(C)C(=O)O
InChIInChI=1S/C9H15NO2/c1-4-5-10-8(3)6-7(2)9(11)12/h5-7H,4H2,1-3H3,(H,11,12)/b8-6-,10-5+
InChIKeyOIZSTPJSWSUAAU-LTFLHPNNSA-N
MW169.22 g/mol
LogP2.09
Rot. Bonds4

About (Z)-2-methyl-4-(propylideneamino)pent-3-enoic acid

(Z)-2-methyl-4-(propylideneamino)pent-3-enoic acid (PubChem CID 118281600) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is (Z)-2-methyl-4-(propylideneamino)pent-3-enoic acid.

Molecular Properties

Compound Name(Z)-2-methyl-4-(propylideneamino)pent-3-enoic acid
PubChem CID118281600
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name(Z)-2-methyl-4-(propylideneamino)pent-3-enoic acid
SMILESCC/C=N/C(C)=C\C(C)C(=O)O
InChIInChI=1S/C9H15NO2/c1-4-5-10-8(3)6-7(2)9(11)12/h5-7H,4H2,1-3H3,(H,11,12)/b8-6-,10-5+
InChIKeyOIZSTPJSWSUAAU-LTFLHPNNSA-N
XLogP2.09
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-methyl-4-(propylideneamino)pent-3-enoic acid?
The IUPAC name of (Z)-2-methyl-4-(propylideneamino)pent-3-enoic acid (CID 118281600) is (Z)-2-methyl-4-(propylideneamino)pent-3-enoic acid.
What is the SMILES notation for (Z)-2-methyl-4-(propylideneamino)pent-3-enoic acid?
The canonical SMILES for (Z)-2-methyl-4-(propylideneamino)pent-3-enoic acid is CC/C=N/C(C)=C\C(C)C(=O)O.
What is the InChIKey of (Z)-2-methyl-4-(propylideneamino)pent-3-enoic acid?
The InChIKey is OIZSTPJSWSUAAU-LTFLHPNNSA-N. The full InChI is InChI=1S/C9H15NO2/c1-4-5-10-8(3)6-7(2)9(11)12/h5-7H,4H2,1-3H3,(H,11,12)/b8-6-,10-5+.
What are the key properties of (Z)-2-methyl-4-(propylideneamino)pent-3-enoic acid?
(Z)-2-methyl-4-(propylideneamino)pent-3-enoic acid has a molecular weight of 169.22 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methyl-4-(propylideneamino)pent-3-enoic acid is sourced from PubChem (CID 118281600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).