2-methyl-4-nitroso-2,3,4,8-tetrahydrocyclohepta[b]pyran

C11H13NO2 — CID 91187307

IUPAC2-methyl-4-nitroso-2,3,4,8-tetrahydrocyclohepta[b]pyran
SMILESCC1CC(N=O)C2=CC=CCC=C2O1
InChIInChI=1S/C11H13NO2/c1-8-7-10(12-13)9-5-3-2-4-6-11(9)14-8/h2-3,5-6,8,10H,4,7H2,1H3
InChIKeyJEYIGAYHCOYDNY-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.70
Rot. Bonds1

About 2-methyl-4-nitroso-2,3,4,8-tetrahydrocyclohepta[b]pyran

2-methyl-4-nitroso-2,3,4,8-tetrahydrocyclohepta[b]pyran (PubChem CID 91187307) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-methyl-4-nitroso-2,3,4,8-tetrahydrocyclohepta[b]pyran.

Molecular Properties

Compound Name2-methyl-4-nitroso-2,3,4,8-tetrahydrocyclohepta[b]pyran
PubChem CID91187307
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name2-methyl-4-nitroso-2,3,4,8-tetrahydrocyclohepta[b]pyran
SMILESCC1CC(N=O)C2=CC=CCC=C2O1
InChIInChI=1S/C11H13NO2/c1-8-7-10(12-13)9-5-3-2-4-6-11(9)14-8/h2-3,5-6,8,10H,4,7H2,1H3
InChIKeyJEYIGAYHCOYDNY-UHFFFAOYSA-N
XLogP2.70
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,8-dihydro-2H-cyclohepta[b][1,4]dioxine
CID 142930509
ethane;2-methyl-3-methylsulfanylcyclohepta-1,3,5-triene
CID 143029310
7H-cyclohepta[d][1,3]oxathiole
CID 143517051
(3S,4aR,8S,8aR)-3,5,8-trimethyl-3,4,4a,7,8,8a-hexahydroisochromen-1-one
CID 101100069
4a,8-dihydro-4H-cyclohepta[b][1]benzofuran;ethane
CID 142425193
ethane;2,3,4,8-tetrahydro-1H-benzo[7]annulene
CID 143640456
ethane;(7-methylcyclohepta-1,3,6-trien-1-yl) (Z)-but-2-enoate
CID 142062038
2-methyl-2,3,3a,4,5,6,7,8,9,10-decahydrocyclododeca[b]furan
CID 67599201
bis(cyclopenta-1,3-diene);2-methyl-2,3-dihydro-1,4-dioxocine-5,8-dione
CID 70486249
7-(5-methyl-2,3-dihydrothiophen-2-yl)cyclohepta-1,4,6-trien-1-amine
CID 155032373
5-(2-methylbutyl)-2-(7-propan-2-ylcyclohepta-1,4,6-trien-1-yl)bicyclo[2.1.0]pentane
CID 123683273
CID 159914814
CID 159914814

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-nitroso-2,3,4,8-tetrahydrocyclohepta[b]pyran?
The IUPAC name of 2-methyl-4-nitroso-2,3,4,8-tetrahydrocyclohepta[b]pyran (CID 91187307) is 2-methyl-4-nitroso-2,3,4,8-tetrahydrocyclohepta[b]pyran.
What is the SMILES notation for 2-methyl-4-nitroso-2,3,4,8-tetrahydrocyclohepta[b]pyran?
The canonical SMILES for 2-methyl-4-nitroso-2,3,4,8-tetrahydrocyclohepta[b]pyran is CC1CC(N=O)C2=CC=CCC=C2O1.
What is the InChIKey of 2-methyl-4-nitroso-2,3,4,8-tetrahydrocyclohepta[b]pyran?
The InChIKey is JEYIGAYHCOYDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-8-7-10(12-13)9-5-3-2-4-6-11(9)14-8/h2-3,5-6,8,10H,4,7H2,1H3.
What are the key properties of 2-methyl-4-nitroso-2,3,4,8-tetrahydrocyclohepta[b]pyran?
2-methyl-4-nitroso-2,3,4,8-tetrahydrocyclohepta[b]pyran has a molecular weight of 191.23 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-nitroso-2,3,4,8-tetrahydrocyclohepta[b]pyran is sourced from PubChem (CID 91187307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).