6-amino-5-imino-2-propylhex-2-enoic acid

C9H16N2O2 — CID 91580667

IUPAC6-amino-5-imino-2-propylhex-2-enoic acid
SMILES[H]/N=C(\CN)CC=C(CCC)C(=O)O
InChIInChI=1S/C9H16N2O2/c1-2-3-7(9(12)13)4-5-8(11)6-10/h4,11H,2-3,5-6,10H2,1H3,(H,12,13)/b7-4?,11-8-
InChIKeyAIOZPOAGILRENX-VXDKAKEBSA-N
MW184.24 g/mol
LogP1.17
Rot. Bonds6

About 6-amino-5-imino-2-propylhex-2-enoic acid

6-amino-5-imino-2-propylhex-2-enoic acid (PubChem CID 91580667) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 6-amino-5-imino-2-propylhex-2-enoic acid.

Molecular Properties

Compound Name6-amino-5-imino-2-propylhex-2-enoic acid
PubChem CID91580667
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name6-amino-5-imino-2-propylhex-2-enoic acid
SMILES[H]/N=C(\CN)CC=C(CCC)C(=O)O
InChIInChI=1S/C9H16N2O2/c1-2-3-7(9(12)13)4-5-8(11)6-10/h4,11H,2-3,5-6,10H2,1H3,(H,12,13)/b7-4?,11-8-
InChIKeyAIOZPOAGILRENX-VXDKAKEBSA-N
XLogP1.17
TPSA87.17 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.17
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 6-amino-5-imino-2-propylhex-2-enoic acid?
The IUPAC name of 6-amino-5-imino-2-propylhex-2-enoic acid (CID 91580667) is 6-amino-5-imino-2-propylhex-2-enoic acid.
What is the SMILES notation for 6-amino-5-imino-2-propylhex-2-enoic acid?
The canonical SMILES for 6-amino-5-imino-2-propylhex-2-enoic acid is [H]/N=C(\CN)CC=C(CCC)C(=O)O.
What is the InChIKey of 6-amino-5-imino-2-propylhex-2-enoic acid?
The InChIKey is AIOZPOAGILRENX-VXDKAKEBSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-2-3-7(9(12)13)4-5-8(11)6-10/h4,11H,2-3,5-6,10H2,1H3,(H,12,13)/b7-4?,11-8-.
What are the key properties of 6-amino-5-imino-2-propylhex-2-enoic acid?
6-amino-5-imino-2-propylhex-2-enoic acid has a molecular weight of 184.24 g/mol, XLogP of 1.17, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-imino-2-propylhex-2-enoic acid is sourced from PubChem (CID 91580667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).