(3Z)-2,2-dimethyl-3-(nitromethylidene)bicyclo[2.2.1]heptane

C10H15NO2 — CID 177403291

IUPAC(3Z)-2,2-dimethyl-3-(nitromethylidene)bicyclo[2.2.1]heptane
SMILESCC1(C)/C(=C\[N+](=O)[O-])C2CCC1C2
InChIInChI=1S/C10H15NO2/c1-10(2)8-4-3-7(5-8)9(10)6-11(12)13/h6-8H,3-5H2,1-2H3/b9-6-
InChIKeyYSRRDKSJZLZZDU-TWGQIWQCSA-N
MW181.24 g/mol
LogP2.60
Rot. Bonds1

About (3Z)-2,2-dimethyl-3-(nitromethylidene)bicyclo[2.2.1]heptane

(3Z)-2,2-dimethyl-3-(nitromethylidene)bicyclo[2.2.1]heptane (PubChem CID 177403291) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is (3Z)-2,2-dimethyl-3-(nitromethylidene)bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(3Z)-2,2-dimethyl-3-(nitromethylidene)bicyclo[2.2.1]heptane
PubChem CID177403291
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Name(3Z)-2,2-dimethyl-3-(nitromethylidene)bicyclo[2.2.1]heptane
SMILESCC1(C)/C(=C\[N+](=O)[O-])C2CCC1C2
InChIInChI=1S/C10H15NO2/c1-10(2)8-4-3-7(5-8)9(10)6-11(12)13/h6-8H,3-5H2,1-2H3/b9-6-
InChIKeyYSRRDKSJZLZZDU-TWGQIWQCSA-N
XLogP2.60
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2E)-2-[(1S,4S)-3,3-dimethyl-2-bicyclo[2.2.1]heptanylidene]acetate
CID 50937784
(2E)-2-[(1S,4R)-3,3-dimethyl-2-bicyclo[2.2.1]heptanylidene]acetate
CID 7324932
(1S,3Z,4S)-3-(fluoromethylidene)-2,2-dimethylbicyclo[2.2.1]heptane
CID 98125583
(1R,3E,4R)-3-(fluoromethylidene)-2,2-dimethylbicyclo[2.2.1]heptane
CID 98125587
(Z)-[(1R,4S)-3,3-dimethyl-2-bicyclo[2.2.1]heptanylidene]methanesulfonyl chloride
CID 55279455
(1R,4R)-3,3-dimethylbicyclo[2.2.1]heptan-2-one
CID 98049650
methyl 2-[(1S,4R)-3,3-dimethyl-2-bicyclo[2.2.1]heptanylidene]acetate
CID 162953192
[(Z)-(3,3-dimethyl-2-bicyclo[2.2.1]heptanylidene)methyl]-triethylsilane
CID 140900137
(1S,4R)-3-ethenylidene-2,2-dimethylbicyclo[2.2.1]heptane
CID 11105521
2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane;methanol
CID 19065853
4-[5-(3,3-dimethyl-2-bicyclo[2.2.1]heptanylidene)-2-methylpenta-1,3-dienyl]benzoic acid
CID 56634989
(1R,2R,4S)-2-methyl-3-oxobicyclo[2.2.1]heptane-2-carbaldehyde
CID 15599975

Frequently Asked Questions

What is the IUPAC name of (3Z)-2,2-dimethyl-3-(nitromethylidene)bicyclo[2.2.1]heptane?
The IUPAC name of (3Z)-2,2-dimethyl-3-(nitromethylidene)bicyclo[2.2.1]heptane (CID 177403291) is (3Z)-2,2-dimethyl-3-(nitromethylidene)bicyclo[2.2.1]heptane.
What is the SMILES notation for (3Z)-2,2-dimethyl-3-(nitromethylidene)bicyclo[2.2.1]heptane?
The canonical SMILES for (3Z)-2,2-dimethyl-3-(nitromethylidene)bicyclo[2.2.1]heptane is CC1(C)/C(=C\[N+](=O)[O-])C2CCC1C2.
What is the InChIKey of (3Z)-2,2-dimethyl-3-(nitromethylidene)bicyclo[2.2.1]heptane?
The InChIKey is YSRRDKSJZLZZDU-TWGQIWQCSA-N. The full InChI is InChI=1S/C10H15NO2/c1-10(2)8-4-3-7(5-8)9(10)6-11(12)13/h6-8H,3-5H2,1-2H3/b9-6-.
What are the key properties of (3Z)-2,2-dimethyl-3-(nitromethylidene)bicyclo[2.2.1]heptane?
(3Z)-2,2-dimethyl-3-(nitromethylidene)bicyclo[2.2.1]heptane has a molecular weight of 181.24 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2,2-dimethyl-3-(nitromethylidene)bicyclo[2.2.1]heptane is sourced from PubChem (CID 177403291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).