N-[2-(2,3-dihydro-1H-imidazol-4-yl)ethyl]-5-oxohexanamide

C11H19N3O2 — CID 156742780

IUPACN-[2-(2,3-dihydro-1H-imidazol-4-yl)ethyl]-5-oxohexanamide
SMILESCC(=O)CCCC(=O)NCCC1=CNCN1
InChIInChI=1S/C11H19N3O2/c1-9(15)3-2-4-11(16)13-6-5-10-7-12-8-14-10/h7,12,14H,2-6,8H2,1H3,(H,13,16)
InChIKeyPOUVFSUVHBBDBT-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.24
Rot. Bonds7

About N-[2-(2,3-dihydro-1H-imidazol-4-yl)ethyl]-5-oxohexanamide

N-[2-(2,3-dihydro-1H-imidazol-4-yl)ethyl]-5-oxohexanamide (PubChem CID 156742780) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1H-imidazol-4-yl)ethyl]-5-oxohexanamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1H-imidazol-4-yl)ethyl]-5-oxohexanamide
PubChem CID156742780
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC NameN-[2-(2,3-dihydro-1H-imidazol-4-yl)ethyl]-5-oxohexanamide
SMILESCC(=O)CCCC(=O)NCCC1=CNCN1
InChIInChI=1S/C11H19N3O2/c1-9(15)3-2-4-11(16)13-6-5-10-7-12-8-14-10/h7,12,14H,2-6,8H2,1H3,(H,13,16)
InChIKeyPOUVFSUVHBBDBT-UHFFFAOYSA-N
XLogP0.24
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1H-imidazol-4-yl)ethyl]-5-oxohexanamide?
The IUPAC name of N-[2-(2,3-dihydro-1H-imidazol-4-yl)ethyl]-5-oxohexanamide (CID 156742780) is N-[2-(2,3-dihydro-1H-imidazol-4-yl)ethyl]-5-oxohexanamide.
What is the SMILES notation for N-[2-(2,3-dihydro-1H-imidazol-4-yl)ethyl]-5-oxohexanamide?
The canonical SMILES for N-[2-(2,3-dihydro-1H-imidazol-4-yl)ethyl]-5-oxohexanamide is CC(=O)CCCC(=O)NCCC1=CNCN1.
What is the InChIKey of N-[2-(2,3-dihydro-1H-imidazol-4-yl)ethyl]-5-oxohexanamide?
The InChIKey is POUVFSUVHBBDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-9(15)3-2-4-11(16)13-6-5-10-7-12-8-14-10/h7,12,14H,2-6,8H2,1H3,(H,13,16).
What are the key properties of N-[2-(2,3-dihydro-1H-imidazol-4-yl)ethyl]-5-oxohexanamide?
N-[2-(2,3-dihydro-1H-imidazol-4-yl)ethyl]-5-oxohexanamide has a molecular weight of 225.29 g/mol, XLogP of 0.24, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1H-imidazol-4-yl)ethyl]-5-oxohexanamide is sourced from PubChem (CID 156742780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).