5-prop-2-enyl-1H-imidazol-2-amine;quinoline

C15H16N4 — CID 174554817

IUPAC5-prop-2-enyl-1H-imidazol-2-amine;quinoline
SMILESC=CCc1cnc(N)[nH]1.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C6H9N3/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-3-5-4-8-6(7)9-5/h1-7H;2,4H,1,3H2,(H3,7,8,9)
InChIKeyHNKDPCDKBGMBLQ-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.96
Rot. Bonds2

About 5-prop-2-enyl-1H-imidazol-2-amine;quinoline

5-prop-2-enyl-1H-imidazol-2-amine;quinoline (PubChem CID 174554817) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 5-prop-2-enyl-1H-imidazol-2-amine;quinoline.

Molecular Properties

Compound Name5-prop-2-enyl-1H-imidazol-2-amine;quinoline
PubChem CID174554817
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name5-prop-2-enyl-1H-imidazol-2-amine;quinoline
SMILESC=CCc1cnc(N)[nH]1.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C6H9N3/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-3-5-4-8-6(7)9-5/h1-7H;2,4H,1,3H2,(H3,7,8,9)
InChIKeyHNKDPCDKBGMBLQ-UHFFFAOYSA-N
XLogP2.96
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-prop-2-enyl-1H-imidazol-2-amine;quinoline?
The IUPAC name of 5-prop-2-enyl-1H-imidazol-2-amine;quinoline (CID 174554817) is 5-prop-2-enyl-1H-imidazol-2-amine;quinoline.
What is the SMILES notation for 5-prop-2-enyl-1H-imidazol-2-amine;quinoline?
The canonical SMILES for 5-prop-2-enyl-1H-imidazol-2-amine;quinoline is C=CCc1cnc(N)[nH]1.c1ccc2ncccc2c1.
What is the InChIKey of 5-prop-2-enyl-1H-imidazol-2-amine;quinoline?
The InChIKey is HNKDPCDKBGMBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.C6H9N3/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-3-5-4-8-6(7)9-5/h1-7H;2,4H,1,3H2,(H3,7,8,9).
What are the key properties of 5-prop-2-enyl-1H-imidazol-2-amine;quinoline?
5-prop-2-enyl-1H-imidazol-2-amine;quinoline has a molecular weight of 252.32 g/mol, XLogP of 2.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-prop-2-enyl-1H-imidazol-2-amine;quinoline is sourced from PubChem (CID 174554817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).