(E,3Z)-4-(aminomethyl)-3-propylidenehept-4-enoic acid

C11H19NO2 — CID 144709720

IUPAC(E,3Z)-4-(aminomethyl)-3-propylidenehept-4-enoic acid
SMILESCC/C=C(CC(=O)O)\C(=C/CC)CN
InChIInChI=1S/C11H19NO2/c1-3-5-9(7-11(13)14)10(8-12)6-4-2/h5-6H,3-4,7-8,12H2,1-2H3,(H,13,14)/b9-5-,10-6-
InChIKeyGNIZRECZLBRUGK-OZDSWYPASA-N
MW197.28 g/mol
LogP2.09
Rot. Bonds6

About (E,3Z)-4-(aminomethyl)-3-propylidenehept-4-enoic acid

(E,3Z)-4-(aminomethyl)-3-propylidenehept-4-enoic acid (PubChem CID 144709720) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is (E,3Z)-4-(aminomethyl)-3-propylidenehept-4-enoic acid.

Molecular Properties

Compound Name(E,3Z)-4-(aminomethyl)-3-propylidenehept-4-enoic acid
PubChem CID144709720
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name(E,3Z)-4-(aminomethyl)-3-propylidenehept-4-enoic acid
SMILESCC/C=C(CC(=O)O)\C(=C/CC)CN
InChIInChI=1S/C11H19NO2/c1-3-5-9(7-11(13)14)10(8-12)6-4-2/h5-6H,3-4,7-8,12H2,1-2H3,(H,13,14)/b9-5-,10-6-
InChIKeyGNIZRECZLBRUGK-OZDSWYPASA-N
XLogP2.09
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-[(Z)-pent-2-en-3-yl]pent-2-en-1-amine
CID 89032252
(E,2Z)-3-fluoro-2-propylidenehex-3-en-1-amine
CID 142166676
2-aminoacetic acid;ethanamine
CID 162171079
2-hydroxypent-2-enoic acid
CID 20977155
3-propylidenehexanedioic acid
CID 91172296
(Z)-2-(2-methylpropyl)pent-2-enoic acid
CID 18516543
3-propylhex-3-enoic acid
CID 152767983
bis((E)-dodec-2-enedioic acid);2-propylidenebutanedioic acid
CID 162205900
11-acetyltetradec-11-enehydrazide
CID 122685105
ethane;(Z,3Z)-3-propylidenehept-4-enoic acid
CID 143337053
(Z)-2-ethyl-N-methylpent-2-enamide
CID 177053955
2-octadecylidenebutanedioic acid
CID 141239026

Frequently Asked Questions

What is the IUPAC name of (E,3Z)-4-(aminomethyl)-3-propylidenehept-4-enoic acid?
The IUPAC name of (E,3Z)-4-(aminomethyl)-3-propylidenehept-4-enoic acid (CID 144709720) is (E,3Z)-4-(aminomethyl)-3-propylidenehept-4-enoic acid.
What is the SMILES notation for (E,3Z)-4-(aminomethyl)-3-propylidenehept-4-enoic acid?
The canonical SMILES for (E,3Z)-4-(aminomethyl)-3-propylidenehept-4-enoic acid is CC/C=C(CC(=O)O)\C(=C/CC)CN.
What is the InChIKey of (E,3Z)-4-(aminomethyl)-3-propylidenehept-4-enoic acid?
The InChIKey is GNIZRECZLBRUGK-OZDSWYPASA-N. The full InChI is InChI=1S/C11H19NO2/c1-3-5-9(7-11(13)14)10(8-12)6-4-2/h5-6H,3-4,7-8,12H2,1-2H3,(H,13,14)/b9-5-,10-6-.
What are the key properties of (E,3Z)-4-(aminomethyl)-3-propylidenehept-4-enoic acid?
(E,3Z)-4-(aminomethyl)-3-propylidenehept-4-enoic acid has a molecular weight of 197.28 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3Z)-4-(aminomethyl)-3-propylidenehept-4-enoic acid is sourced from PubChem (CID 144709720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).