N-[(Z)-pent-3-en-2-ylidene]ethanimidamide

C7H12N2 — CID 143830339

IUPACN-[(Z)-pent-3-en-2-ylidene]ethanimidamide
SMILES[H]/N=C(C)/N=C(C)/C=C\C
InChIInChI=1S/C7H12N2/c1-4-5-6(2)9-7(3)8/h4-5,8H,1-3H3/b5-4-,8-7+,9-6+
InChIKeyWOJPAIOQBSZCSW-HPRYQFLYSA-N
MW124.19 g/mol
LogP2.02
Rot. Bonds1

About N-[(Z)-pent-3-en-2-ylidene]ethanimidamide

N-[(Z)-pent-3-en-2-ylidene]ethanimidamide (PubChem CID 143830339) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is N-[(Z)-pent-3-en-2-ylidene]ethanimidamide.

Molecular Properties

Compound NameN-[(Z)-pent-3-en-2-ylidene]ethanimidamide
PubChem CID143830339
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC NameN-[(Z)-pent-3-en-2-ylidene]ethanimidamide
SMILES[H]/N=C(C)/N=C(C)/C=C\C
InChIInChI=1S/C7H12N2/c1-4-5-6(2)9-7(3)8/h4-5,8H,1-3H3/b5-4-,8-7+,9-6+
InChIKeyWOJPAIOQBSZCSW-HPRYQFLYSA-N
XLogP2.02
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-[(Z)-pent-3-en-2-ylidene]ethanimidamide with MolForge

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

Launch Full Analysis

Related Compounds

Pent-2-enimidamide
CID 34180092
(Z)-4-iminopent-2-enimidamide
CID 59089737
CID 74821450
CID 74821450
N-[(Z)-pent-3-en-2-ylidene]methanimidamide
CID 87693670
2,6-dimethyl-3H-pyridin-2-amine
CID 89339074
2-Methyliminobut-3-enimidamide
CID 89684219
(Z)-pent-2-enimidamide
CID 96869220
N-[(E)-3-methylpent-3-en-2-ylidene]ethanimidamide
CID 117662528
N-[(Z)-hex-4-en-3-ylidene]methanimidamide
CID 118327150
N-[(E)-hex-3-en-2-ylidene]ethanimidamide
CID 122691937
1-But-3-en-2-ylideneguanidine
CID 123765646
7-Methylazepin-2-imine
CID 123916247

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-pent-3-en-2-ylidene]ethanimidamide?
The IUPAC name of N-[(Z)-pent-3-en-2-ylidene]ethanimidamide (CID 143830339) is N-[(Z)-pent-3-en-2-ylidene]ethanimidamide.
What is the SMILES notation for N-[(Z)-pent-3-en-2-ylidene]ethanimidamide?
The canonical SMILES for N-[(Z)-pent-3-en-2-ylidene]ethanimidamide is [H]/N=C(C)/N=C(C)/C=C\C.
What is the InChIKey of N-[(Z)-pent-3-en-2-ylidene]ethanimidamide?
The InChIKey is WOJPAIOQBSZCSW-HPRYQFLYSA-N. The full InChI is InChI=1S/C7H12N2/c1-4-5-6(2)9-7(3)8/h4-5,8H,1-3H3/b5-4-,8-7+,9-6+.
What are the key properties of N-[(Z)-pent-3-en-2-ylidene]ethanimidamide?
N-[(Z)-pent-3-en-2-ylidene]ethanimidamide has a molecular weight of 124.19 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-pent-3-en-2-ylidene]ethanimidamide is sourced from PubChem (CID 143830339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).