(4S)-4-propan-2-yl-1,4-dihydropyrrolo[2,1-c][1,4]oxazin-3-one

C10H13NO2 — CID 142750629

IUPAC(4S)-4-propan-2-yl-1,4-dihydropyrrolo[2,1-c][1,4]oxazin-3-one
SMILESCC(C)[C@H]1C(=O)OCc2cccn21
InChIInChI=1S/C10H13NO2/c1-7(2)9-10(12)13-6-8-4-3-5-11(8)9/h3-5,7,9H,6H2,1-2H3/t9-/m0/s1
InChIKeyMJKJDJDLFPWRTD-VIFPVBQESA-N
MW179.22 g/mol
LogP1.74
Rot. Bonds1

About (4S)-4-propan-2-yl-1,4-dihydropyrrolo[2,1-c][1,4]oxazin-3-one

(4S)-4-propan-2-yl-1,4-dihydropyrrolo[2,1-c][1,4]oxazin-3-one (PubChem CID 142750629) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is (4S)-4-propan-2-yl-1,4-dihydropyrrolo[2,1-c][1,4]oxazin-3-one.

Molecular Properties

Compound Name(4S)-4-propan-2-yl-1,4-dihydropyrrolo[2,1-c][1,4]oxazin-3-one
PubChem CID142750629
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name(4S)-4-propan-2-yl-1,4-dihydropyrrolo[2,1-c][1,4]oxazin-3-one
SMILESCC(C)[C@H]1C(=O)OCc2cccn21
InChIInChI=1S/C10H13NO2/c1-7(2)9-10(12)13-6-8-4-3-5-11(8)9/h3-5,7,9H,6H2,1-2H3/t9-/m0/s1
InChIKeyMJKJDJDLFPWRTD-VIFPVBQESA-N
XLogP1.74
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-propan-2-yl-1,4-dihydropyrrolo[2,1-c][1,4]oxazin-3-one
CID 142750638
ethane;3-propan-2-yloxolane-2,4-dione
CID 169243997
(2R,4R,5S,8S)-5-methyl-4-phenyl-8-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),10-dien-7-one
CID 101427546
1-(oxan-3-yl)-3-(propan-2-ylamino)pyridin-2-one
CID 139383698
(5S,15S)-5,15-di(propan-2-yl)-3,17-dioxa-6,14,23,24-tetrazatricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaene-4,7,13,16-tetrone
CID 10600369
1-(4-morpholin-4-ylcyclohexyl)-3-(propan-2-ylamino)pyridin-2-one
CID 137457478
1-cyclopropyl-3-[(2-methylpropylamino)methyl]pyridin-2-one
CID 82527082
1-[(1S,2R)-2-hydroxycyclopentyl]-3-(propan-2-ylamino)pyridin-2-one
CID 139373552
(4S,9S)-4,9-di(propan-2-yl)-2,11-dioxabicyclo[10.4.0]hexadeca-1(16),6,12,14-tetraene-3,10-dione
CID 70274927
2,4-diphenyl-5-propan-2-yl-1,2,4-oxadiazinane-3,6-dione
CID 561921
3-(1-propan-2-ylpiperidin-4-yl)-1H-pyridin-2-one
CID 176693124
1-[(3S)-oxan-3-yl]-3-propan-2-ylpyridin-2-one
CID 146635158

Frequently Asked Questions

What is the IUPAC name of (4S)-4-propan-2-yl-1,4-dihydropyrrolo[2,1-c][1,4]oxazin-3-one?
The IUPAC name of (4S)-4-propan-2-yl-1,4-dihydropyrrolo[2,1-c][1,4]oxazin-3-one (CID 142750629) is (4S)-4-propan-2-yl-1,4-dihydropyrrolo[2,1-c][1,4]oxazin-3-one.
What is the SMILES notation for (4S)-4-propan-2-yl-1,4-dihydropyrrolo[2,1-c][1,4]oxazin-3-one?
The canonical SMILES for (4S)-4-propan-2-yl-1,4-dihydropyrrolo[2,1-c][1,4]oxazin-3-one is CC(C)[C@H]1C(=O)OCc2cccn21.
What is the InChIKey of (4S)-4-propan-2-yl-1,4-dihydropyrrolo[2,1-c][1,4]oxazin-3-one?
The InChIKey is MJKJDJDLFPWRTD-VIFPVBQESA-N. The full InChI is InChI=1S/C10H13NO2/c1-7(2)9-10(12)13-6-8-4-3-5-11(8)9/h3-5,7,9H,6H2,1-2H3/t9-/m0/s1.
What are the key properties of (4S)-4-propan-2-yl-1,4-dihydropyrrolo[2,1-c][1,4]oxazin-3-one?
(4S)-4-propan-2-yl-1,4-dihydropyrrolo[2,1-c][1,4]oxazin-3-one has a molecular weight of 179.22 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-propan-2-yl-1,4-dihydropyrrolo[2,1-c][1,4]oxazin-3-one is sourced from PubChem (CID 142750629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).