N-[2-(2-cyclopropylimidazol-1-yl)ethyl]cyclopropanecarboxamide

C12H17N3O — CID 91628946

IUPACN-[2-(2-cyclopropylimidazol-1-yl)ethyl]cyclopropanecarboxamide
SMILESO=C(NCCn1ccnc1C1CC1)C1CC1
InChIInChI=1S/C12H17N3O/c16-12(10-3-4-10)14-6-8-15-7-5-13-11(15)9-1-2-9/h5,7,9-10H,1-4,6,8H2,(H,14,16)
InChIKeyGBPHNYPAMRRNAM-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.29
Rot. Bonds5

About N-[2-(2-cyclopropylimidazol-1-yl)ethyl]cyclopropanecarboxamide

N-[2-(2-cyclopropylimidazol-1-yl)ethyl]cyclopropanecarboxamide (PubChem CID 91628946) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N-[2-(2-cyclopropylimidazol-1-yl)ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(2-cyclopropylimidazol-1-yl)ethyl]cyclopropanecarboxamide
PubChem CID91628946
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN-[2-(2-cyclopropylimidazol-1-yl)ethyl]cyclopropanecarboxamide
SMILESO=C(NCCn1ccnc1C1CC1)C1CC1
InChIInChI=1S/C12H17N3O/c16-12(10-3-4-10)14-6-8-15-7-5-13-11(15)9-1-2-9/h5,7,9-10H,1-4,6,8H2,(H,14,16)
InChIKeyGBPHNYPAMRRNAM-UHFFFAOYSA-N
XLogP1.29
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cyclopropylimidazol-1-yl)ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(2-cyclopropylimidazol-1-yl)ethyl]cyclopropanecarboxamide (CID 91628946) is N-[2-(2-cyclopropylimidazol-1-yl)ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(2-cyclopropylimidazol-1-yl)ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(2-cyclopropylimidazol-1-yl)ethyl]cyclopropanecarboxamide is O=C(NCCn1ccnc1C1CC1)C1CC1.
What is the InChIKey of N-[2-(2-cyclopropylimidazol-1-yl)ethyl]cyclopropanecarboxamide?
The InChIKey is GBPHNYPAMRRNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c16-12(10-3-4-10)14-6-8-15-7-5-13-11(15)9-1-2-9/h5,7,9-10H,1-4,6,8H2,(H,14,16).
What are the key properties of N-[2-(2-cyclopropylimidazol-1-yl)ethyl]cyclopropanecarboxamide?
N-[2-(2-cyclopropylimidazol-1-yl)ethyl]cyclopropanecarboxamide has a molecular weight of 219.29 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-cyclopropylimidazol-1-yl)ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 91628946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).