1,1,10-trimethyl-3,4,9,9a-tetrahydro-[1,4]oxazino[4,3-a]indole

C14H19NO — CID 163958457

IUPAC1,1,10-trimethyl-3,4,9,9a-tetrahydro-[1,4]oxazino[4,3-a]indole
SMILESCC1=C2N(CCOC2(C)C)C2=CC=CCC21
InChIInChI=1S/C14H19NO/c1-10-11-6-4-5-7-12(11)15-8-9-16-14(2,3)13(10)15/h4-5,7,11H,6,8-9H2,1-3H3
InChIKeySFKUGTFYYCWTCX-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.84
Rot. Bonds

About 1,1,10-trimethyl-3,4,9,9a-tetrahydro-[1,4]oxazino[4,3-a]indole

1,1,10-trimethyl-3,4,9,9a-tetrahydro-[1,4]oxazino[4,3-a]indole (PubChem CID 163958457) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1,1,10-trimethyl-3,4,9,9a-tetrahydro-[1,4]oxazino[4,3-a]indole.

Molecular Properties

Compound Name1,1,10-trimethyl-3,4,9,9a-tetrahydro-[1,4]oxazino[4,3-a]indole
PubChem CID163958457
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1,1,10-trimethyl-3,4,9,9a-tetrahydro-[1,4]oxazino[4,3-a]indole
SMILESCC1=C2N(CCOC2(C)C)C2=CC=CCC21
InChIInChI=1S/C14H19NO/c1-10-11-6-4-5-7-12(11)15-8-9-16-14(2,3)13(10)15/h4-5,7,11H,6,8-9H2,1-3H3
InChIKeySFKUGTFYYCWTCX-UHFFFAOYSA-N
XLogP2.84
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-fluoro-10-methyl-3,4,9,9a-tetrahydro-1H-[1,4]oxazino[4,3-a]indole
CID 163478368
1,3,4,6,7,7a-Hexahydro-[1,4]oxazino[3,4-a]isoquinoline
CID 69056332
4-(4,5-Dimethylcyclohexa-1,3-dien-1-yl)morpholine
CID 139405776
3,4,5a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]indole
CID 141513166
10-methyl-3,4,7,8-tetrahydro-1H-[1,4]oxazino[4,3-a]indole
CID 163470832
1,1',7,7-tetramethylspiro[2H-furo[3,4-b]pyridine-5,4'-piperidine]
CID 163916694

Frequently Asked Questions

What is the IUPAC name of 1,1,10-trimethyl-3,4,9,9a-tetrahydro-[1,4]oxazino[4,3-a]indole?
The IUPAC name of 1,1,10-trimethyl-3,4,9,9a-tetrahydro-[1,4]oxazino[4,3-a]indole (CID 163958457) is 1,1,10-trimethyl-3,4,9,9a-tetrahydro-[1,4]oxazino[4,3-a]indole.
What is the SMILES notation for 1,1,10-trimethyl-3,4,9,9a-tetrahydro-[1,4]oxazino[4,3-a]indole?
The canonical SMILES for 1,1,10-trimethyl-3,4,9,9a-tetrahydro-[1,4]oxazino[4,3-a]indole is CC1=C2N(CCOC2(C)C)C2=CC=CCC21.
What is the InChIKey of 1,1,10-trimethyl-3,4,9,9a-tetrahydro-[1,4]oxazino[4,3-a]indole?
The InChIKey is SFKUGTFYYCWTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-10-11-6-4-5-7-12(11)15-8-9-16-14(2,3)13(10)15/h4-5,7,11H,6,8-9H2,1-3H3.
What are the key properties of 1,1,10-trimethyl-3,4,9,9a-tetrahydro-[1,4]oxazino[4,3-a]indole?
1,1,10-trimethyl-3,4,9,9a-tetrahydro-[1,4]oxazino[4,3-a]indole has a molecular weight of 217.31 g/mol, XLogP of 2.84, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,10-trimethyl-3,4,9,9a-tetrahydro-[1,4]oxazino[4,3-a]indole is sourced from PubChem (CID 163958457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).