(3-aminocyclopentyl)-(2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone

C16H22N2O2 — CID 119789024

IUPAC(3-aminocyclopentyl)-(2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
SMILESCc1ccc2c(c1)OC(C)CN2C(=O)C1CCC(N)C1
InChIInChI=1S/C16H22N2O2/c1-10-3-6-14-15(7-10)20-11(2)9-18(14)16(19)12-4-5-13(17)8-12/h3,6-7,11-13H,4-5,8-9,17H2,1-2H3
InChIKeyWBLJSVUTDCJQRW-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.24
Rot. Bonds1

About (3-aminocyclopentyl)-(2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone

(3-aminocyclopentyl)-(2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone (PubChem CID 119789024) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is (3-aminocyclopentyl)-(2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone.

Molecular Properties

Compound Name(3-aminocyclopentyl)-(2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
PubChem CID119789024
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name(3-aminocyclopentyl)-(2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
SMILESCc1ccc2c(c1)OC(C)CN2C(=O)C1CCC(N)C1
InChIInChI=1S/C16H22N2O2/c1-10-3-6-14-15(7-10)20-11(2)9-18(14)16(19)12-4-5-13(17)8-12/h3,6-7,11-13H,4-5,8-9,17H2,1-2H3
InChIKeyWBLJSVUTDCJQRW-UHFFFAOYSA-N
XLogP2.24
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Launch Full Analysis

Related Compounds

[(1S,3S)-3-aminocyclohexyl]-[(2R)-7-fluoro-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]methanone
CID 125134962
[(2R)-2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]-[(3R)-piperidin-3-yl]methanone
CID 124595642
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone;hydrochloride
CID 120793633
2-(cyclopropylmethylamino)-1-(2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
CID 119789031
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone;hydrochloride
CID 119789032
(7-fluoro-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120636162
1-[(2S)-2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]-3-piperidin-4-ylpropan-1-one
CID 129392948
(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-piperidin-4-ylmethanone
CID 82274959
(2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(2,4-dimethyl-1,3-oxazol-5-yl)methanone
CID 71863520
1-[2-[(2R)-2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-oxoethyl]-3-methylurea
CID 124514303
[(2S)-7-fluoro-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]-[(3R)-pyrrolidin-3-yl]methanone
CID 124697728
1-(2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(6-methyl-3-pyridinyl)ethanone
CID 71979716

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclopentyl)-(2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
The IUPAC name of (3-aminocyclopentyl)-(2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone (CID 119789024) is (3-aminocyclopentyl)-(2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone.
What is the SMILES notation for (3-aminocyclopentyl)-(2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
The canonical SMILES for (3-aminocyclopentyl)-(2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone is Cc1ccc2c(c1)OC(C)CN2C(=O)C1CCC(N)C1.
What is the InChIKey of (3-aminocyclopentyl)-(2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
The InChIKey is WBLJSVUTDCJQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-10-3-6-14-15(7-10)20-11(2)9-18(14)16(19)12-4-5-13(17)8-12/h3,6-7,11-13H,4-5,8-9,17H2,1-2H3.
What are the key properties of (3-aminocyclopentyl)-(2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
(3-aminocyclopentyl)-(2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone has a molecular weight of 274.36 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclopentyl)-(2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone is sourced from PubChem (CID 119789024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).