2-nitroso-5-propan-2-ylcyclohexa-1,3-diene

C9H13NO — CID 121461064

IUPAC2-nitroso-5-propan-2-ylcyclohexa-1,3-diene
SMILESCC(C)C1C=CC(N=O)=CC1
InChIInChI=1S/C9H13NO/c1-7(2)8-3-5-9(10-11)6-4-8/h3,5-8H,4H2,1-2H3
InChIKeyVPHKRASLYADPAU-UHFFFAOYSA-N
MW151.21 g/mol
LogP2.87
Rot. Bonds2

About 2-nitroso-5-propan-2-ylcyclohexa-1,3-diene

2-nitroso-5-propan-2-ylcyclohexa-1,3-diene (PubChem CID 121461064) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 2-nitroso-5-propan-2-ylcyclohexa-1,3-diene.

Molecular Properties

Compound Name2-nitroso-5-propan-2-ylcyclohexa-1,3-diene
PubChem CID121461064
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name2-nitroso-5-propan-2-ylcyclohexa-1,3-diene
SMILESCC(C)C1C=CC(N=O)=CC1
InChIInChI=1S/C9H13NO/c1-7(2)8-3-5-9(10-11)6-4-8/h3,5-8H,4H2,1-2H3
InChIKeyVPHKRASLYADPAU-UHFFFAOYSA-N
XLogP2.87
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-5-propan-2-ylcyclohexa-1,3-diene
CID 123785324
5-propan-2-yl-2-(trideuteriomethyl)cyclohexa-1,3-diene
CID 169445508
(4-propan-2-ylcyclohexa-1,5-dien-1-yl)methanol
CID 519721
2-(4-methylcyclohex-2-en-1-yl)-5-propan-2-ylcyclohexa-1,3-diene
CID 162365229
(5R)-5-propan-2-ylcyclohexa-1,3-diene
CID 134896176
(6S)-1,6-dimethyl-3-nitrosocyclohexa-1,3-diene
CID 163581000
methyl (E)-2-methyl-5-[(4R)-4-propan-2-ylcyclohexa-1,5-dien-1-yl]pent-2-enoate
CID 163016360
2,3-difluoro-5-propan-2-ylcyclohexa-1,3-diene
CID 130374340
5-(3,3-dimethylbutan-2-yl)-2-methylcyclohexa-1,3-diene
CID 157406812
(6E)-3,5-dimethoxy-6-(3-methylbutylidene)cyclohexa-2,4-dien-1-one;(5R)-2-methyl-5-propan-2-ylcyclohexa-1,3-diene
CID 91344772
(6S)-3-methylidene-6-propan-2-ylcyclohexene;(6R)-3-methylidene-6-propan-2-ylcyclohexene
CID 76969298
2,6-difluoro-3-[(4-propan-2-ylcyclohexa-1,5-dien-1-yl)sulfanylamino]benzaldehyde
CID 126731671

Frequently Asked Questions

What is the IUPAC name of 2-nitroso-5-propan-2-ylcyclohexa-1,3-diene?
The IUPAC name of 2-nitroso-5-propan-2-ylcyclohexa-1,3-diene (CID 121461064) is 2-nitroso-5-propan-2-ylcyclohexa-1,3-diene.
What is the SMILES notation for 2-nitroso-5-propan-2-ylcyclohexa-1,3-diene?
The canonical SMILES for 2-nitroso-5-propan-2-ylcyclohexa-1,3-diene is CC(C)C1C=CC(N=O)=CC1.
What is the InChIKey of 2-nitroso-5-propan-2-ylcyclohexa-1,3-diene?
The InChIKey is VPHKRASLYADPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-7(2)8-3-5-9(10-11)6-4-8/h3,5-8H,4H2,1-2H3.
What are the key properties of 2-nitroso-5-propan-2-ylcyclohexa-1,3-diene?
2-nitroso-5-propan-2-ylcyclohexa-1,3-diene has a molecular weight of 151.21 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitroso-5-propan-2-ylcyclohexa-1,3-diene is sourced from PubChem (CID 121461064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).