3-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one

C16H21ClN2O — CID 81301122

IUPAC3-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCNC1Cc2ccc(Cl)cc2C1)N1CCCC1
InChIInChI=1S/C16H21ClN2O/c17-14-4-3-12-10-15(11-13(12)9-14)18-6-5-16(20)19-7-1-2-8-19/h3-4,9,15,18H,1-2,5-8,10-11H2
InChIKeyCJJPMACLUGUTAS-UHFFFAOYSA-N
MW292.81 g/mol
LogP2.41
Rot. Bonds4

About 3-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one

3-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 81301122) has the molecular formula C16H21ClN2O and a molecular weight of 292.81 g/mol. Its IUPAC name is 3-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID81301122
Molecular FormulaC16H21ClN2O
Molecular Weight292.81 g/mol
Exact Mass292.13
IUPAC Name3-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCNC1Cc2ccc(Cl)cc2C1)N1CCCC1
InChIInChI=1S/C16H21ClN2O/c17-14-4-3-12-10-15(11-13(12)9-14)18-6-5-16(20)19-7-1-2-8-19/h3-4,9,15,18H,1-2,5-8,10-11H2
InChIKeyCJJPMACLUGUTAS-UHFFFAOYSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one (CID 81301122) is 3-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one is O=C(CCNC1Cc2ccc(Cl)cc2C1)N1CCCC1.
What is the InChIKey of 3-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is CJJPMACLUGUTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O/c17-14-4-3-12-10-15(11-13(12)9-14)18-6-5-16(20)19-7-1-2-8-19/h3-4,9,15,18H,1-2,5-8,10-11H2.
What are the key properties of 3-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one?
3-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 292.81 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 81301122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).