(E)-1,5-diamino-2-[(Z)-prop-1-enyl]pent-2-en-1-ol

C8H16N2O — CID 89073953

IUPAC(E)-1,5-diamino-2-[(Z)-prop-1-enyl]pent-2-en-1-ol
SMILESC/C=C\C(=C/CCN)C(N)O
InChIInChI=1S/C8H16N2O/c1-2-4-7(8(10)11)5-3-6-9/h2,4-5,8,11H,3,6,9-10H2,1H3/b4-2-,7-5+
InChIKeyQWCKCDCDMYAPOB-USMLMTEFSA-N
MW156.23 g/mol
LogP0.11
Rot. Bonds4

About (E)-1,5-diamino-2-[(Z)-prop-1-enyl]pent-2-en-1-ol

(E)-1,5-diamino-2-[(Z)-prop-1-enyl]pent-2-en-1-ol (PubChem CID 89073953) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is (E)-1,5-diamino-2-[(Z)-prop-1-enyl]pent-2-en-1-ol.

Molecular Properties

Compound Name(E)-1,5-diamino-2-[(Z)-prop-1-enyl]pent-2-en-1-ol
PubChem CID89073953
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name(E)-1,5-diamino-2-[(Z)-prop-1-enyl]pent-2-en-1-ol
SMILESC/C=C\C(=C/CCN)C(N)O
InChIInChI=1S/C8H16N2O/c1-2-4-7(8(10)11)5-3-6-9/h2,4-5,8,11H,3,6,9-10H2,1H3/b4-2-,7-5+
InChIKeyQWCKCDCDMYAPOB-USMLMTEFSA-N
XLogP0.11
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (E)-1,5-diamino-2-[(Z)-prop-1-enyl]pent-2-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-1,5-diamino-2-[(Z)-prop-1-enyl]pent-2-en-1-ol?
The IUPAC name of (E)-1,5-diamino-2-[(Z)-prop-1-enyl]pent-2-en-1-ol (CID 89073953) is (E)-1,5-diamino-2-[(Z)-prop-1-enyl]pent-2-en-1-ol.
What is the SMILES notation for (E)-1,5-diamino-2-[(Z)-prop-1-enyl]pent-2-en-1-ol?
The canonical SMILES for (E)-1,5-diamino-2-[(Z)-prop-1-enyl]pent-2-en-1-ol is C/C=C\C(=C/CCN)C(N)O.
What is the InChIKey of (E)-1,5-diamino-2-[(Z)-prop-1-enyl]pent-2-en-1-ol?
The InChIKey is QWCKCDCDMYAPOB-USMLMTEFSA-N. The full InChI is InChI=1S/C8H16N2O/c1-2-4-7(8(10)11)5-3-6-9/h2,4-5,8,11H,3,6,9-10H2,1H3/b4-2-,7-5+.
What are the key properties of (E)-1,5-diamino-2-[(Z)-prop-1-enyl]pent-2-en-1-ol?
(E)-1,5-diamino-2-[(Z)-prop-1-enyl]pent-2-en-1-ol has a molecular weight of 156.23 g/mol, XLogP of 0.11, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,5-diamino-2-[(Z)-prop-1-enyl]pent-2-en-1-ol is sourced from PubChem (CID 89073953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).