(E)-N-[1-(cyclopropylmethyl)imidazol-4-yl]-2-methylhex-4-enamide

C14H21N3O — CID 166316529

IUPAC(E)-N-[1-(cyclopropylmethyl)imidazol-4-yl]-2-methylhex-4-enamide
SMILESC/C=C/CC(C)C(=O)Nc1cn(CC2CC2)cn1
InChIInChI=1S/C14H21N3O/c1-3-4-5-11(2)14(18)16-13-9-17(10-15-13)8-12-6-7-12/h3-4,9-12H,5-8H2,1-2H3,(H,16,18)/b4-3+
InChIKeyLXESKYJMZUYSEA-ONEGZZNKSA-N
MW247.34 g/mol
LogP2.83
Rot. Bonds6

About (E)-N-[1-(cyclopropylmethyl)imidazol-4-yl]-2-methylhex-4-enamide

(E)-N-[1-(cyclopropylmethyl)imidazol-4-yl]-2-methylhex-4-enamide (PubChem CID 166316529) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is (E)-N-[1-(cyclopropylmethyl)imidazol-4-yl]-2-methylhex-4-enamide.

Molecular Properties

Compound Name(E)-N-[1-(cyclopropylmethyl)imidazol-4-yl]-2-methylhex-4-enamide
PubChem CID166316529
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name(E)-N-[1-(cyclopropylmethyl)imidazol-4-yl]-2-methylhex-4-enamide
SMILESC/C=C/CC(C)C(=O)Nc1cn(CC2CC2)cn1
InChIInChI=1S/C14H21N3O/c1-3-4-5-11(2)14(18)16-13-9-17(10-15-13)8-12-6-7-12/h3-4,9-12H,5-8H2,1-2H3,(H,16,18)/b4-3+
InChIKeyLXESKYJMZUYSEA-ONEGZZNKSA-N
XLogP2.83
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-(cyclopropylmethyl)imidazol-4-yl]-2-methylhex-4-enamide?
The IUPAC name of (E)-N-[1-(cyclopropylmethyl)imidazol-4-yl]-2-methylhex-4-enamide (CID 166316529) is (E)-N-[1-(cyclopropylmethyl)imidazol-4-yl]-2-methylhex-4-enamide.
What is the SMILES notation for (E)-N-[1-(cyclopropylmethyl)imidazol-4-yl]-2-methylhex-4-enamide?
The canonical SMILES for (E)-N-[1-(cyclopropylmethyl)imidazol-4-yl]-2-methylhex-4-enamide is C/C=C/CC(C)C(=O)Nc1cn(CC2CC2)cn1.
What is the InChIKey of (E)-N-[1-(cyclopropylmethyl)imidazol-4-yl]-2-methylhex-4-enamide?
The InChIKey is LXESKYJMZUYSEA-ONEGZZNKSA-N. The full InChI is InChI=1S/C14H21N3O/c1-3-4-5-11(2)14(18)16-13-9-17(10-15-13)8-12-6-7-12/h3-4,9-12H,5-8H2,1-2H3,(H,16,18)/b4-3+.
What are the key properties of (E)-N-[1-(cyclopropylmethyl)imidazol-4-yl]-2-methylhex-4-enamide?
(E)-N-[1-(cyclopropylmethyl)imidazol-4-yl]-2-methylhex-4-enamide has a molecular weight of 247.34 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-(cyclopropylmethyl)imidazol-4-yl]-2-methylhex-4-enamide is sourced from PubChem (CID 166316529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).