N'-prop-2-enyl-N-prop-2-enylideneprop-2-enimidamide

C9H12N2 — CID 564453

IUPACN'-prop-2-enyl-N-prop-2-enylideneprop-2-enimidamide
SMILESC=C/C=N/C(C=C)=N/CC=C
InChIInChI=1S/C9H12N2/c1-4-7-10-9(6-3)11-8-5-2/h4-7H,1-3,8H2/b10-7+,11-9+
InChIKeyMXZCGHGMBUOPTA-PPZOTWNKSA-N
MW148.21 g/mol
LogP2.01
Rot. Bonds4

About N'-prop-2-enyl-N-prop-2-enylideneprop-2-enimidamide

N'-prop-2-enyl-N-prop-2-enylideneprop-2-enimidamide (PubChem CID 564453) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is N'-prop-2-enyl-N-prop-2-enylideneprop-2-enimidamide.

Molecular Properties

Compound NameN'-prop-2-enyl-N-prop-2-enylideneprop-2-enimidamide
PubChem CID564453
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC NameN'-prop-2-enyl-N-prop-2-enylideneprop-2-enimidamide
SMILESC=C/C=N/C(C=C)=N/CC=C
InChIInChI=1S/C9H12N2/c1-4-7-10-9(6-3)11-8-5-2/h4-7H,1-3,8H2/b10-7+,11-9+
InChIKeyMXZCGHGMBUOPTA-PPZOTWNKSA-N
XLogP2.01
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-prop-2-enyl-N-prop-2-enylideneprop-2-enimidamide?
The IUPAC name of N'-prop-2-enyl-N-prop-2-enylideneprop-2-enimidamide (CID 564453) is N'-prop-2-enyl-N-prop-2-enylideneprop-2-enimidamide.
What is the SMILES notation for N'-prop-2-enyl-N-prop-2-enylideneprop-2-enimidamide?
The canonical SMILES for N'-prop-2-enyl-N-prop-2-enylideneprop-2-enimidamide is C=C/C=N/C(C=C)=N/CC=C.
What is the InChIKey of N'-prop-2-enyl-N-prop-2-enylideneprop-2-enimidamide?
The InChIKey is MXZCGHGMBUOPTA-PPZOTWNKSA-N. The full InChI is InChI=1S/C9H12N2/c1-4-7-10-9(6-3)11-8-5-2/h4-7H,1-3,8H2/b10-7+,11-9+.
What are the key properties of N'-prop-2-enyl-N-prop-2-enylideneprop-2-enimidamide?
N'-prop-2-enyl-N-prop-2-enylideneprop-2-enimidamide has a molecular weight of 148.21 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-prop-2-enyl-N-prop-2-enylideneprop-2-enimidamide is sourced from PubChem (CID 564453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).