1-[3-[[[(1S)-6-methyl-2,3-dihydro-1H-inden-1-yl]amino]methyl]phenyl]azetidin-2-one

C20H22N2O — CID 100716716

IUPAC1-[3-[[[(1S)-6-methyl-2,3-dihydro-1H-inden-1-yl]amino]methyl]phenyl]azetidin-2-one
SMILESCc1ccc2c(c1)[C@@H](NCc1cccc(N3CCC3=O)c1)CC2
InChIInChI=1S/C20H22N2O/c1-14-5-6-16-7-8-19(18(16)11-14)21-13-15-3-2-4-17(12-15)22-10-9-20(22)23/h2-6,11-12,19,21H,7-10,13H2,1H3/t19-/m0/s1
InChIKeyBDGYATZGEIZUIY-IBGZPJMESA-N
MW306.41 g/mol
LogP3.51
Rot. Bonds4

About 1-[3-[[[(1S)-6-methyl-2,3-dihydro-1H-inden-1-yl]amino]methyl]phenyl]azetidin-2-one

1-[3-[[[(1S)-6-methyl-2,3-dihydro-1H-inden-1-yl]amino]methyl]phenyl]azetidin-2-one (PubChem CID 100716716) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-[3-[[[(1S)-6-methyl-2,3-dihydro-1H-inden-1-yl]amino]methyl]phenyl]azetidin-2-one.

Molecular Properties

Compound Name1-[3-[[[(1S)-6-methyl-2,3-dihydro-1H-inden-1-yl]amino]methyl]phenyl]azetidin-2-one
PubChem CID100716716
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name1-[3-[[[(1S)-6-methyl-2,3-dihydro-1H-inden-1-yl]amino]methyl]phenyl]azetidin-2-one
SMILESCc1ccc2c(c1)[C@@H](NCc1cccc(N3CCC3=O)c1)CC2
InChIInChI=1S/C20H22N2O/c1-14-5-6-16-7-8-19(18(16)11-14)21-13-15-3-2-4-17(12-15)22-10-9-20(22)23/h2-6,11-12,19,21H,7-10,13H2,1H3/t19-/m0/s1
InChIKeyBDGYATZGEIZUIY-IBGZPJMESA-N
XLogP3.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[[[(1S)-6-methyl-2,3-dihydro-1H-inden-1-yl]amino]methyl]phenyl]azetidin-2-one?
The IUPAC name of 1-[3-[[[(1S)-6-methyl-2,3-dihydro-1H-inden-1-yl]amino]methyl]phenyl]azetidin-2-one (CID 100716716) is 1-[3-[[[(1S)-6-methyl-2,3-dihydro-1H-inden-1-yl]amino]methyl]phenyl]azetidin-2-one.
What is the SMILES notation for 1-[3-[[[(1S)-6-methyl-2,3-dihydro-1H-inden-1-yl]amino]methyl]phenyl]azetidin-2-one?
The canonical SMILES for 1-[3-[[[(1S)-6-methyl-2,3-dihydro-1H-inden-1-yl]amino]methyl]phenyl]azetidin-2-one is Cc1ccc2c(c1)[C@@H](NCc1cccc(N3CCC3=O)c1)CC2.
What is the InChIKey of 1-[3-[[[(1S)-6-methyl-2,3-dihydro-1H-inden-1-yl]amino]methyl]phenyl]azetidin-2-one?
The InChIKey is BDGYATZGEIZUIY-IBGZPJMESA-N. The full InChI is InChI=1S/C20H22N2O/c1-14-5-6-16-7-8-19(18(16)11-14)21-13-15-3-2-4-17(12-15)22-10-9-20(22)23/h2-6,11-12,19,21H,7-10,13H2,1H3/t19-/m0/s1.
What are the key properties of 1-[3-[[[(1S)-6-methyl-2,3-dihydro-1H-inden-1-yl]amino]methyl]phenyl]azetidin-2-one?
1-[3-[[[(1S)-6-methyl-2,3-dihydro-1H-inden-1-yl]amino]methyl]phenyl]azetidin-2-one has a molecular weight of 306.41 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[[(1S)-6-methyl-2,3-dihydro-1H-inden-1-yl]amino]methyl]phenyl]azetidin-2-one is sourced from PubChem (CID 100716716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).