1-[3-(cyclopropylamino)-2-hydroxypropyl]-3-methylimidazol-2-one

C10H17N3O2 — CID 80581586

IUPAC1-[3-(cyclopropylamino)-2-hydroxypropyl]-3-methylimidazol-2-one
SMILESCn1ccn(CC(O)CNC2CC2)c1=O
InChIInChI=1S/C10H17N3O2/c1-12-4-5-13(10(12)15)7-9(14)6-11-8-2-3-8/h4-5,8-9,11,14H,2-3,6-7H2,1H3
InChIKeyLFXXPVWJIDAUBX-UHFFFAOYSA-N
MW211.26 g/mol
LogP-0.70
Rot. Bonds5

About 1-[3-(cyclopropylamino)-2-hydroxypropyl]-3-methylimidazol-2-one

1-[3-(cyclopropylamino)-2-hydroxypropyl]-3-methylimidazol-2-one (PubChem CID 80581586) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-[3-(cyclopropylamino)-2-hydroxypropyl]-3-methylimidazol-2-one.

Molecular Properties

Compound Name1-[3-(cyclopropylamino)-2-hydroxypropyl]-3-methylimidazol-2-one
PubChem CID80581586
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name1-[3-(cyclopropylamino)-2-hydroxypropyl]-3-methylimidazol-2-one
SMILESCn1ccn(CC(O)CNC2CC2)c1=O
InChIInChI=1S/C10H17N3O2/c1-12-4-5-13(10(12)15)7-9(14)6-11-8-2-3-8/h4-5,8-9,11,14H,2-3,6-7H2,1H3
InChIKeyLFXXPVWJIDAUBX-UHFFFAOYSA-N
XLogP-0.70
TPSA59.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopropylamino)-2-hydroxypropyl]-3-methylimidazol-2-one?
The IUPAC name of 1-[3-(cyclopropylamino)-2-hydroxypropyl]-3-methylimidazol-2-one (CID 80581586) is 1-[3-(cyclopropylamino)-2-hydroxypropyl]-3-methylimidazol-2-one.
What is the SMILES notation for 1-[3-(cyclopropylamino)-2-hydroxypropyl]-3-methylimidazol-2-one?
The canonical SMILES for 1-[3-(cyclopropylamino)-2-hydroxypropyl]-3-methylimidazol-2-one is Cn1ccn(CC(O)CNC2CC2)c1=O.
What is the InChIKey of 1-[3-(cyclopropylamino)-2-hydroxypropyl]-3-methylimidazol-2-one?
The InChIKey is LFXXPVWJIDAUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-12-4-5-13(10(12)15)7-9(14)6-11-8-2-3-8/h4-5,8-9,11,14H,2-3,6-7H2,1H3.
What are the key properties of 1-[3-(cyclopropylamino)-2-hydroxypropyl]-3-methylimidazol-2-one?
1-[3-(cyclopropylamino)-2-hydroxypropyl]-3-methylimidazol-2-one has a molecular weight of 211.26 g/mol, XLogP of -0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopropylamino)-2-hydroxypropyl]-3-methylimidazol-2-one is sourced from PubChem (CID 80581586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).