N-cyclopropyl-3-[4-(hydroxymethyl)imidazol-1-yl]propanamide

C10H15N3O2 — CID 106717486

IUPACN-cyclopropyl-3-[4-(hydroxymethyl)imidazol-1-yl]propanamide
SMILESO=C(CCn1cnc(CO)c1)NC1CC1
InChIInChI=1S/C10H15N3O2/c14-6-9-5-13(7-11-9)4-3-10(15)12-8-1-2-8/h5,7-8,14H,1-4,6H2,(H,12,15)
InChIKeyPMYNPXCMOHQSSJ-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.04
Rot. Bonds5

About N-cyclopropyl-3-[4-(hydroxymethyl)imidazol-1-yl]propanamide

N-cyclopropyl-3-[4-(hydroxymethyl)imidazol-1-yl]propanamide (PubChem CID 106717486) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is N-cyclopropyl-3-[4-(hydroxymethyl)imidazol-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[4-(hydroxymethyl)imidazol-1-yl]propanamide
PubChem CID106717486
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC NameN-cyclopropyl-3-[4-(hydroxymethyl)imidazol-1-yl]propanamide
SMILESO=C(CCn1cnc(CO)c1)NC1CC1
InChIInChI=1S/C10H15N3O2/c14-6-9-5-13(7-11-9)4-3-10(15)12-8-1-2-8/h5,7-8,14H,1-4,6H2,(H,12,15)
InChIKeyPMYNPXCMOHQSSJ-UHFFFAOYSA-N
XLogP0.04
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[4-(hydroxymethyl)imidazol-1-yl]propanamide?
The IUPAC name of N-cyclopropyl-3-[4-(hydroxymethyl)imidazol-1-yl]propanamide (CID 106717486) is N-cyclopropyl-3-[4-(hydroxymethyl)imidazol-1-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[4-(hydroxymethyl)imidazol-1-yl]propanamide?
The canonical SMILES for N-cyclopropyl-3-[4-(hydroxymethyl)imidazol-1-yl]propanamide is O=C(CCn1cnc(CO)c1)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-[4-(hydroxymethyl)imidazol-1-yl]propanamide?
The InChIKey is PMYNPXCMOHQSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c14-6-9-5-13(7-11-9)4-3-10(15)12-8-1-2-8/h5,7-8,14H,1-4,6H2,(H,12,15).
What are the key properties of N-cyclopropyl-3-[4-(hydroxymethyl)imidazol-1-yl]propanamide?
N-cyclopropyl-3-[4-(hydroxymethyl)imidazol-1-yl]propanamide has a molecular weight of 209.25 g/mol, XLogP of 0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[4-(hydroxymethyl)imidazol-1-yl]propanamide is sourced from PubChem (CID 106717486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).