3-amino-7-propan-2-yl-2,3-dihydroinden-1-one

C12H15NO — CID 130040004

IUPAC3-amino-7-propan-2-yl-2,3-dihydroinden-1-one
SMILESCC(C)c1cccc2c1C(=O)CC2N
InChIInChI=1S/C12H15NO/c1-7(2)8-4-3-5-9-10(13)6-11(14)12(8)9/h3-5,7,10H,6,13H2,1-2H3
InChIKeyDDLYXNJDPWGBKR-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.40
Rot. Bonds1

About 3-amino-7-propan-2-yl-2,3-dihydroinden-1-one

3-amino-7-propan-2-yl-2,3-dihydroinden-1-one (PubChem CID 130040004) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 3-amino-7-propan-2-yl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name3-amino-7-propan-2-yl-2,3-dihydroinden-1-one
PubChem CID130040004
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name3-amino-7-propan-2-yl-2,3-dihydroinden-1-one
SMILESCC(C)c1cccc2c1C(=O)CC2N
InChIInChI=1S/C12H15NO/c1-7(2)8-4-3-5-9-10(13)6-11(14)12(8)9/h3-5,7,10H,6,13H2,1-2H3
InChIKeyDDLYXNJDPWGBKR-UHFFFAOYSA-N
XLogP2.40
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-amino-7-methoxy-2,3-dihydroinden-1-one;hydrochloride
CID 11608195
7-propan-2-yl-2,3-dihydroinden-1-one
CID 45096604
1-methyl-8-propan-2-yl-3,4-dihydro-2H-quinolin-4-amine
CID 82276293
3-amino-7-propan-2-yl-1,3-dihydroindol-2-one
CID 82234602
5-propan-2-yl-2,3-dihydrochromen-4-one
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CID 70106261
11,16-dimethyl-9,18-di(propan-2-yl)pentacyclo[13.7.0.04,12.05,10.017,22]docosa-5(10),6,8,11,15,17(22),18,20-octaene
CID 89312302
3-(2-methylpropyl)-2,3-dihydroinden-1-one
CID 63820625
7-propan-2-yl-3-sulfanylidene-2-benzofuran-1-one
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[2,6-bis[2,6-di(propan-2-yl)phenyl]phenyl]phosphane
CID 101430775
4-[2,6-di(propan-2-yl)phenyl]cyclohexan-1-amine
CID 23498005
4-amino-7-propan-2-yl-3,4-dihydro-1H-quinolin-2-one
CID 82158310

Frequently Asked Questions

What is the IUPAC name of 3-amino-7-propan-2-yl-2,3-dihydroinden-1-one?
The IUPAC name of 3-amino-7-propan-2-yl-2,3-dihydroinden-1-one (CID 130040004) is 3-amino-7-propan-2-yl-2,3-dihydroinden-1-one.
What is the SMILES notation for 3-amino-7-propan-2-yl-2,3-dihydroinden-1-one?
The canonical SMILES for 3-amino-7-propan-2-yl-2,3-dihydroinden-1-one is CC(C)c1cccc2c1C(=O)CC2N.
What is the InChIKey of 3-amino-7-propan-2-yl-2,3-dihydroinden-1-one?
The InChIKey is DDLYXNJDPWGBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-7(2)8-4-3-5-9-10(13)6-11(14)12(8)9/h3-5,7,10H,6,13H2,1-2H3.
What are the key properties of 3-amino-7-propan-2-yl-2,3-dihydroinden-1-one?
3-amino-7-propan-2-yl-2,3-dihydroinden-1-one has a molecular weight of 189.26 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-7-propan-2-yl-2,3-dihydroinden-1-one is sourced from PubChem (CID 130040004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).