3-(2-bicyclo[2.2.1]heptanylmethylidene)pyrrolidine

C12H19N — CID 115824738

IUPAC3-(2-bicyclo[2.2.1]heptanylmethylidene)pyrrolidine
SMILESC(=C1CCNC1)C1CC2CCC1C2
InChIInChI=1S/C12H19N/c1-2-11-5-9(1)6-12(11)7-10-3-4-13-8-10/h7,9,11-13H,1-6,8H2
InChIKeyDIXQOBPLPUBCKL-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.34
Rot. Bonds1

About 3-(2-bicyclo[2.2.1]heptanylmethylidene)pyrrolidine

3-(2-bicyclo[2.2.1]heptanylmethylidene)pyrrolidine (PubChem CID 115824738) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 3-(2-bicyclo[2.2.1]heptanylmethylidene)pyrrolidine.

Molecular Properties

Compound Name3-(2-bicyclo[2.2.1]heptanylmethylidene)pyrrolidine
PubChem CID115824738
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name3-(2-bicyclo[2.2.1]heptanylmethylidene)pyrrolidine
SMILESC(=C1CCNC1)C1CC2CCC1C2
InChIInChI=1S/C12H19N/c1-2-11-5-9(1)6-12(11)7-10-3-4-13-8-10/h7,9,11-13H,1-6,8H2
InChIKeyDIXQOBPLPUBCKL-UHFFFAOYSA-N
XLogP2.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-(2-bicyclo[2.2.1]heptanylmethylidene)pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-cyclopropylethylidene)pyrrolidine
CID 79880429
(E)-3-(2-bicyclo[2.2.1]heptanyl)prop-2-enoic acid
CID 122176743
(2R)-2-but-1-enylbicyclo[2.2.1]heptane
CID 173350379
(E)-4-(2-bicyclo[2.2.1]heptanyl)-3-methylbut-3-en-2-one
CID 6442027
3-(2-bicyclo[2.2.1]heptanylmethylamino)piperidine-2,6-dione
CID 79551566
(1S,2S,4R)-2-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]bicyclo[2.2.1]heptane
CID 54589598
(1S,4R,5R,8S)-5,13-dimethyltricyclo[6.5.1.14,10]pentadecane
CID 58625736
2-(2-bicyclo[2.2.1]heptanyl)-4-cyclopropyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739672
ethyl 3-(2-bicyclo[2.2.1]heptanylmethylidene)-2-ethyloxirane-2-carboxylate
CID 88744349
1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperazine
CID 98126141
1-(2-bicyclo[2.2.1]heptanyl)pentan-2-amine
CID 79557968
2-hexa-1,3,4-trienylbicyclo[2.2.1]heptane
CID 54274738

Frequently Asked Questions

What is the IUPAC name of 3-(2-bicyclo[2.2.1]heptanylmethylidene)pyrrolidine?
The IUPAC name of 3-(2-bicyclo[2.2.1]heptanylmethylidene)pyrrolidine (CID 115824738) is 3-(2-bicyclo[2.2.1]heptanylmethylidene)pyrrolidine.
What is the SMILES notation for 3-(2-bicyclo[2.2.1]heptanylmethylidene)pyrrolidine?
The canonical SMILES for 3-(2-bicyclo[2.2.1]heptanylmethylidene)pyrrolidine is C(=C1CCNC1)C1CC2CCC1C2.
What is the InChIKey of 3-(2-bicyclo[2.2.1]heptanylmethylidene)pyrrolidine?
The InChIKey is DIXQOBPLPUBCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-2-11-5-9(1)6-12(11)7-10-3-4-13-8-10/h7,9,11-13H,1-6,8H2.
What are the key properties of 3-(2-bicyclo[2.2.1]heptanylmethylidene)pyrrolidine?
3-(2-bicyclo[2.2.1]heptanylmethylidene)pyrrolidine has a molecular weight of 177.29 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bicyclo[2.2.1]heptanylmethylidene)pyrrolidine is sourced from PubChem (CID 115824738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).