1-(2-nitrosoethyl)tricyclo[3.3.0.03,7]octane

C10H15NO — CID 167002514

IUPAC1-(2-nitrosoethyl)tricyclo[3.3.0.03,7]octane
SMILESO=NCCC12CC3CC1CC3C2
InChIInChI=1S/C10H15NO/c12-11-2-1-10-5-7-3-9(10)4-8(7)6-10/h7-9H,1-6H2
InChIKeyDHNKWEDEDJOMSS-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.58
Rot. Bonds3

About 1-(2-nitrosoethyl)tricyclo[3.3.0.03,7]octane

1-(2-nitrosoethyl)tricyclo[3.3.0.03,7]octane (PubChem CID 167002514) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-(2-nitrosoethyl)tricyclo[3.3.0.03,7]octane.

Molecular Properties

Compound Name1-(2-nitrosoethyl)tricyclo[3.3.0.03,7]octane
PubChem CID167002514
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name1-(2-nitrosoethyl)tricyclo[3.3.0.03,7]octane
SMILESO=NCCC12CC3CC1CC3C2
InChIInChI=1S/C10H15NO/c12-11-2-1-10-5-7-3-9(10)4-8(7)6-10/h7-9H,1-6H2
InChIKeyDHNKWEDEDJOMSS-UHFFFAOYSA-N
XLogP2.58
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-tricyclo[3.3.0.03,7]octanyl)ethanimine
CID 156880564
(1R)-3-cyclopropyl-1-ethylbicyclo[3.1.0]hexane
CID 163765951
2-(1-bicyclo[1.1.0]butanyl)ethanamine
CID 147459530
7-(2-nitrosoethyl)dispiro[2.0.24.13]heptane
CID 156639029
3-(3-tricyclo[3.3.1.03,7]nonanyl)propan-1-ol
CID 130130448
6'-nitrosospiro[1,3-dioxolane-2,2'-adamantane]
CID 90801410
5-(isocyanatomethyl)-1-(8-isocyanatooctyl)-2-(3-isocyanatopropyl)bicyclo[2.2.1]heptane
CID 87217969
2-nitrosoethylcyclooctane
CID 129141307
2-nitrosoethylcyclotridecane
CID 138619052
(3aR,4S,6R,6aS)-2,2-dimethyl-4-(2-nitrosoethoxy)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-amine
CID 126725455
1,2-bis(isocyanatomethyl)-5-(3-isocyanatopropyl)bicyclo[2.2.1]heptane;isocyanic acid
CID 172773224
2-(1-ethylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 173085788

Frequently Asked Questions

What is the IUPAC name of 1-(2-nitrosoethyl)tricyclo[3.3.0.03,7]octane?
The IUPAC name of 1-(2-nitrosoethyl)tricyclo[3.3.0.03,7]octane (CID 167002514) is 1-(2-nitrosoethyl)tricyclo[3.3.0.03,7]octane.
What is the SMILES notation for 1-(2-nitrosoethyl)tricyclo[3.3.0.03,7]octane?
The canonical SMILES for 1-(2-nitrosoethyl)tricyclo[3.3.0.03,7]octane is O=NCCC12CC3CC1CC3C2.
What is the InChIKey of 1-(2-nitrosoethyl)tricyclo[3.3.0.03,7]octane?
The InChIKey is DHNKWEDEDJOMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c12-11-2-1-10-5-7-3-9(10)4-8(7)6-10/h7-9H,1-6H2.
What are the key properties of 1-(2-nitrosoethyl)tricyclo[3.3.0.03,7]octane?
1-(2-nitrosoethyl)tricyclo[3.3.0.03,7]octane has a molecular weight of 165.24 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-nitrosoethyl)tricyclo[3.3.0.03,7]octane is sourced from PubChem (CID 167002514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).