1-[1-[(1R,6S)-7-bicyclo[4.1.0]heptanyl]ethyl]-3-methylimidazolidin-2-one

C13H22N2O — CID 134967362

IUPAC1-[1-[(1R,6S)-7-bicyclo[4.1.0]heptanyl]ethyl]-3-methylimidazolidin-2-one
SMILESCC(C1[C@H]2CCCC[C@@H]12)N1CCN(C)C1=O
InChIInChI=1S/C13H22N2O/c1-9(15-8-7-14(2)13(15)16)12-10-5-3-4-6-11(10)12/h9-12H,3-8H2,1-2H3/t9?,10-,11+,12?
InChIKeyNKGKCFLNIWQTMI-WSVSKBAQSA-N
MW222.33 g/mol
LogP2.18
Rot. Bonds2

About 1-[1-[(1R,6S)-7-bicyclo[4.1.0]heptanyl]ethyl]-3-methylimidazolidin-2-one

1-[1-[(1R,6S)-7-bicyclo[4.1.0]heptanyl]ethyl]-3-methylimidazolidin-2-one (PubChem CID 134967362) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-[1-[(1R,6S)-7-bicyclo[4.1.0]heptanyl]ethyl]-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[1-[(1R,6S)-7-bicyclo[4.1.0]heptanyl]ethyl]-3-methylimidazolidin-2-one
PubChem CID134967362
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-[1-[(1R,6S)-7-bicyclo[4.1.0]heptanyl]ethyl]-3-methylimidazolidin-2-one
SMILESCC(C1[C@H]2CCCC[C@@H]12)N1CCN(C)C1=O
InChIInChI=1S/C13H22N2O/c1-9(15-8-7-14(2)13(15)16)12-10-5-3-4-6-11(10)12/h9-12H,3-8H2,1-2H3/t9?,10-,11+,12?
InChIKeyNKGKCFLNIWQTMI-WSVSKBAQSA-N
XLogP2.18
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1R,6S)-7-bicyclo[4.1.0]heptanyl]ethyl]-3-methylimidazolidin-2-one?
The IUPAC name of 1-[1-[(1R,6S)-7-bicyclo[4.1.0]heptanyl]ethyl]-3-methylimidazolidin-2-one (CID 134967362) is 1-[1-[(1R,6S)-7-bicyclo[4.1.0]heptanyl]ethyl]-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-[1-[(1R,6S)-7-bicyclo[4.1.0]heptanyl]ethyl]-3-methylimidazolidin-2-one?
The canonical SMILES for 1-[1-[(1R,6S)-7-bicyclo[4.1.0]heptanyl]ethyl]-3-methylimidazolidin-2-one is CC(C1[C@H]2CCCC[C@@H]12)N1CCN(C)C1=O.
What is the InChIKey of 1-[1-[(1R,6S)-7-bicyclo[4.1.0]heptanyl]ethyl]-3-methylimidazolidin-2-one?
The InChIKey is NKGKCFLNIWQTMI-WSVSKBAQSA-N. The full InChI is InChI=1S/C13H22N2O/c1-9(15-8-7-14(2)13(15)16)12-10-5-3-4-6-11(10)12/h9-12H,3-8H2,1-2H3/t9?,10-,11+,12?.
What are the key properties of 1-[1-[(1R,6S)-7-bicyclo[4.1.0]heptanyl]ethyl]-3-methylimidazolidin-2-one?
1-[1-[(1R,6S)-7-bicyclo[4.1.0]heptanyl]ethyl]-3-methylimidazolidin-2-one has a molecular weight of 222.33 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1R,6S)-7-bicyclo[4.1.0]heptanyl]ethyl]-3-methylimidazolidin-2-one is sourced from PubChem (CID 134967362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).