(Z)-3-(1H-imidazol-5-yl)prop-2-en-1-imine

C6H7N3 — CID 139321163

IUPAC(Z)-3-(1H-imidazol-5-yl)prop-2-en-1-imine
SMILES[H]/N=C/C=C\c1cnc[nH]1
InChIInChI=1S/C6H7N3/c7-3-1-2-6-4-8-5-9-6/h1-5,7H,(H,8,9)/b2-1-,7-3+
InChIKeyLEUFDFCBWSTZMS-AFCKVHGPSA-N
MW121.14 g/mol
LogP1.07
Rot. Bonds2

About (Z)-3-(1H-imidazol-5-yl)prop-2-en-1-imine

(Z)-3-(1H-imidazol-5-yl)prop-2-en-1-imine (PubChem CID 139321163) has the molecular formula C6H7N3 and a molecular weight of 121.14 g/mol. Its IUPAC name is (Z)-3-(1H-imidazol-5-yl)prop-2-en-1-imine.

Molecular Properties

Compound Name(Z)-3-(1H-imidazol-5-yl)prop-2-en-1-imine
PubChem CID139321163
Molecular FormulaC6H7N3
Molecular Weight121.14 g/mol
Exact Mass121.06
IUPAC Name(Z)-3-(1H-imidazol-5-yl)prop-2-en-1-imine
SMILES[H]/N=C/C=C\c1cnc[nH]1
InChIInChI=1S/C6H7N3/c7-3-1-2-6-4-8-5-9-6/h1-5,7H,(H,8,9)/b2-1-,7-3+
InChIKeyLEUFDFCBWSTZMS-AFCKVHGPSA-N
XLogP1.07
TPSA52.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(1H-imidazol-5-yl)prop-2-en-1-imine?
The IUPAC name of (Z)-3-(1H-imidazol-5-yl)prop-2-en-1-imine (CID 139321163) is (Z)-3-(1H-imidazol-5-yl)prop-2-en-1-imine.
What is the SMILES notation for (Z)-3-(1H-imidazol-5-yl)prop-2-en-1-imine?
The canonical SMILES for (Z)-3-(1H-imidazol-5-yl)prop-2-en-1-imine is [H]/N=C/C=C\c1cnc[nH]1.
What is the InChIKey of (Z)-3-(1H-imidazol-5-yl)prop-2-en-1-imine?
The InChIKey is LEUFDFCBWSTZMS-AFCKVHGPSA-N. The full InChI is InChI=1S/C6H7N3/c7-3-1-2-6-4-8-5-9-6/h1-5,7H,(H,8,9)/b2-1-,7-3+.
What are the key properties of (Z)-3-(1H-imidazol-5-yl)prop-2-en-1-imine?
(Z)-3-(1H-imidazol-5-yl)prop-2-en-1-imine has a molecular weight of 121.14 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(1H-imidazol-5-yl)prop-2-en-1-imine is sourced from PubChem (CID 139321163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).