10-cyclohexa-1,3-dien-1-yl-8-methyl-2,3,5a,9a-tetrahydrophenoxazine

C19H21NO — CID 70805721

IUPAC10-cyclohexa-1,3-dien-1-yl-8-methyl-2,3,5a,9a-tetrahydrophenoxazine
SMILESCC1=CC2C(C=C1)OC1=CCCC=C1N2C1=CC=CCC1
InChIInChI=1S/C19H21NO/c1-14-11-12-19-17(13-14)20(15-7-3-2-4-8-15)16-9-5-6-10-18(16)21-19/h2-3,7,9-13,17,19H,4-6,8H2,1H3
InChIKeyNFYOFNJSDIKFBJ-UHFFFAOYSA-N
MW279.38 g/mol
LogP4.37
Rot. Bonds1

About 10-cyclohexa-1,3-dien-1-yl-8-methyl-2,3,5a,9a-tetrahydrophenoxazine

10-cyclohexa-1,3-dien-1-yl-8-methyl-2,3,5a,9a-tetrahydrophenoxazine (PubChem CID 70805721) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 10-cyclohexa-1,3-dien-1-yl-8-methyl-2,3,5a,9a-tetrahydrophenoxazine.

Molecular Properties

Compound Name10-cyclohexa-1,3-dien-1-yl-8-methyl-2,3,5a,9a-tetrahydrophenoxazine
PubChem CID70805721
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name10-cyclohexa-1,3-dien-1-yl-8-methyl-2,3,5a,9a-tetrahydrophenoxazine
SMILESCC1=CC2C(C=C1)OC1=CCCC=C1N2C1=CC=CCC1
InChIInChI=1S/C19H21NO/c1-14-11-12-19-17(13-14)20(15-7-3-2-4-8-15)16-9-5-6-10-18(16)21-19/h2-3,7,9-13,17,19H,4-6,8H2,1H3
InChIKeyNFYOFNJSDIKFBJ-UHFFFAOYSA-N
XLogP4.37
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Ethyl-4-methyl-2,3,4a,8a-tetrahydro-1,4-benzoxazine
CID 58787092
4,6-Dimethyl-2,3,4a,8a-tetrahydro-1,4-benzoxazine
CID 59613732
4,7-Dimethyl-2,3,4a,8a-tetrahydro-1,4-benzoxazine
CID 60032173
3-N,3-N,6-N,6-N-tetraethyl-8a,10a-dihydro-3H-xanthene-3,6-diamine
CID 68357797
N,N-bis(prop-2-enyl)-4aH-benzo[c]chromen-1-amine
CID 88787790
8-Chloro-10-(3-piperidin-1-ylpropyl)-2,3,5a,9a-tetrahydrophenoxazine
CID 90750006
4-(3,4,5a,6-tetrahydrophenoxazin-10-yl)-N,N-diethylbutan-1-amine
CID 121400093
3-(6,7-dihydronaphthalen-2-yloxy)-N-methyl-N-propylbut-1-en-2-amine
CID 143811751
4,6-Dimethyl-2,3,8,8a-tetrahydro-1,4-benzoxazine
CID 144151229
(2E)-3-propan-2-ylidene-2-prop-2-enylidene-4-propyl-5,6-dihydro-1,4-benzoxazine
CID 144808802
2-Oxa-13-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(22),4(9),5,10,14,18,20-heptaene
CID 148925078
2-[(3,3-Dimethyl-2-aza-3-azoniatricyclo[6.3.1.04,12]dodeca-1(11),4(12),7,9-tetraen-2-yl)oxy]-10,10-dimethyl-2,3,5a,9a-tetrahydrophenoxazin-10-ium
CID 163767771

Frequently Asked Questions

What is the IUPAC name of 10-cyclohexa-1,3-dien-1-yl-8-methyl-2,3,5a,9a-tetrahydrophenoxazine?
The IUPAC name of 10-cyclohexa-1,3-dien-1-yl-8-methyl-2,3,5a,9a-tetrahydrophenoxazine (CID 70805721) is 10-cyclohexa-1,3-dien-1-yl-8-methyl-2,3,5a,9a-tetrahydrophenoxazine.
What is the SMILES notation for 10-cyclohexa-1,3-dien-1-yl-8-methyl-2,3,5a,9a-tetrahydrophenoxazine?
The canonical SMILES for 10-cyclohexa-1,3-dien-1-yl-8-methyl-2,3,5a,9a-tetrahydrophenoxazine is CC1=CC2C(C=C1)OC1=CCCC=C1N2C1=CC=CCC1.
What is the InChIKey of 10-cyclohexa-1,3-dien-1-yl-8-methyl-2,3,5a,9a-tetrahydrophenoxazine?
The InChIKey is NFYOFNJSDIKFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-14-11-12-19-17(13-14)20(15-7-3-2-4-8-15)16-9-5-6-10-18(16)21-19/h2-3,7,9-13,17,19H,4-6,8H2,1H3.
What are the key properties of 10-cyclohexa-1,3-dien-1-yl-8-methyl-2,3,5a,9a-tetrahydrophenoxazine?
10-cyclohexa-1,3-dien-1-yl-8-methyl-2,3,5a,9a-tetrahydrophenoxazine has a molecular weight of 279.38 g/mol, XLogP of 4.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-cyclohexa-1,3-dien-1-yl-8-methyl-2,3,5a,9a-tetrahydrophenoxazine is sourced from PubChem (CID 70805721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).