(1E,3Z)-1-pyrrolidin-3-yloxypenta-1,3-diene-1,4-diamine

C9H17N3O — CID 134406400

IUPAC(1E,3Z)-1-pyrrolidin-3-yloxypenta-1,3-diene-1,4-diamine
SMILESC/C(N)=C/C=C(\N)OC1CCNC1
InChIInChI=1S/C9H17N3O/c1-7(10)2-3-9(11)13-8-4-5-12-6-8/h2-3,8,12H,4-6,10-11H2,1H3/b7-2-,9-3+
InChIKeyBJAZTRHPEJSDLW-YZSNKVSVSA-N
MW183.25 g/mol
LogP0.03
Rot. Bonds3

About (1E,3Z)-1-pyrrolidin-3-yloxypenta-1,3-diene-1,4-diamine

(1E,3Z)-1-pyrrolidin-3-yloxypenta-1,3-diene-1,4-diamine (PubChem CID 134406400) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is (1E,3Z)-1-pyrrolidin-3-yloxypenta-1,3-diene-1,4-diamine.

Molecular Properties

Compound Name(1E,3Z)-1-pyrrolidin-3-yloxypenta-1,3-diene-1,4-diamine
PubChem CID134406400
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name(1E,3Z)-1-pyrrolidin-3-yloxypenta-1,3-diene-1,4-diamine
SMILESC/C(N)=C/C=C(\N)OC1CCNC1
InChIInChI=1S/C9H17N3O/c1-7(10)2-3-9(11)13-8-4-5-12-6-8/h2-3,8,12H,4-6,10-11H2,1H3/b7-2-,9-3+
InChIKeyBJAZTRHPEJSDLW-YZSNKVSVSA-N
XLogP0.03
TPSA73.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (1E,3Z)-1-pyrrolidin-3-yloxypenta-1,3-diene-1,4-diamine 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 (1E,3Z)-1-pyrrolidin-3-yloxypenta-1,3-diene-1,4-diamine?
The IUPAC name of (1E,3Z)-1-pyrrolidin-3-yloxypenta-1,3-diene-1,4-diamine (CID 134406400) is (1E,3Z)-1-pyrrolidin-3-yloxypenta-1,3-diene-1,4-diamine.
What is the SMILES notation for (1E,3Z)-1-pyrrolidin-3-yloxypenta-1,3-diene-1,4-diamine?
The canonical SMILES for (1E,3Z)-1-pyrrolidin-3-yloxypenta-1,3-diene-1,4-diamine is C/C(N)=C/C=C(\N)OC1CCNC1.
What is the InChIKey of (1E,3Z)-1-pyrrolidin-3-yloxypenta-1,3-diene-1,4-diamine?
The InChIKey is BJAZTRHPEJSDLW-YZSNKVSVSA-N. The full InChI is InChI=1S/C9H17N3O/c1-7(10)2-3-9(11)13-8-4-5-12-6-8/h2-3,8,12H,4-6,10-11H2,1H3/b7-2-,9-3+.
What are the key properties of (1E,3Z)-1-pyrrolidin-3-yloxypenta-1,3-diene-1,4-diamine?
(1E,3Z)-1-pyrrolidin-3-yloxypenta-1,3-diene-1,4-diamine has a molecular weight of 183.25 g/mol, XLogP of 0.03, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-1-pyrrolidin-3-yloxypenta-1,3-diene-1,4-diamine is sourced from PubChem (CID 134406400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).