N-ethenyl-N-[(Z)-prop-1-enyl]prop-2-enimidamide

C8H12N2 — CID 118674850

IUPACN-ethenyl-N-[(Z)-prop-1-enyl]prop-2-enimidamide
SMILES[H]/N=C(\C=C)N(C=C)/C=C\C
InChIInChI=1S/C8H12N2/c1-4-7-10(6-3)8(9)5-2/h4-7,9H,2-3H2,1H3/b7-4-,9-8+
InChIKeySKDVQEPCSXIDAE-NKUJDFQBSA-N
MW136.20 g/mol
LogP2.13
Rot. Bonds3

About N-ethenyl-N-[(Z)-prop-1-enyl]prop-2-enimidamide

N-ethenyl-N-[(Z)-prop-1-enyl]prop-2-enimidamide (PubChem CID 118674850) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is N-ethenyl-N-[(Z)-prop-1-enyl]prop-2-enimidamide.

Molecular Properties

Compound NameN-ethenyl-N-[(Z)-prop-1-enyl]prop-2-enimidamide
PubChem CID118674850
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC NameN-ethenyl-N-[(Z)-prop-1-enyl]prop-2-enimidamide
SMILES[H]/N=C(\C=C)N(C=C)/C=C\C
InChIInChI=1S/C8H12N2/c1-4-7-10(6-3)8(9)5-2/h4-7,9H,2-3H2,1H3/b7-4-,9-8+
InChIKeySKDVQEPCSXIDAE-NKUJDFQBSA-N
XLogP2.13
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 52.13
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'}

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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-N-[(Z)-prop-1-enyl]prop-2-enimidamide?
The IUPAC name of N-ethenyl-N-[(Z)-prop-1-enyl]prop-2-enimidamide (CID 118674850) is N-ethenyl-N-[(Z)-prop-1-enyl]prop-2-enimidamide.
What is the SMILES notation for N-ethenyl-N-[(Z)-prop-1-enyl]prop-2-enimidamide?
The canonical SMILES for N-ethenyl-N-[(Z)-prop-1-enyl]prop-2-enimidamide is [H]/N=C(\C=C)N(C=C)/C=C\C.
What is the InChIKey of N-ethenyl-N-[(Z)-prop-1-enyl]prop-2-enimidamide?
The InChIKey is SKDVQEPCSXIDAE-NKUJDFQBSA-N. The full InChI is InChI=1S/C8H12N2/c1-4-7-10(6-3)8(9)5-2/h4-7,9H,2-3H2,1H3/b7-4-,9-8+.
What are the key properties of N-ethenyl-N-[(Z)-prop-1-enyl]prop-2-enimidamide?
N-ethenyl-N-[(Z)-prop-1-enyl]prop-2-enimidamide has a molecular weight of 136.20 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N-[(Z)-prop-1-enyl]prop-2-enimidamide is sourced from PubChem (CID 118674850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).