1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolidin-3-ol

C12H21NO — CID 79563086

IUPAC1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolidin-3-ol
SMILESOC1CCN(CC2CC3CCC2C3)C1
InChIInChI=1S/C12H21NO/c14-12-3-4-13(8-12)7-11-6-9-1-2-10(11)5-9/h9-12,14H,1-8H2
InChIKeyLXWUWKZCSHZIND-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.49
Rot. Bonds2

About 1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolidin-3-ol

1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolidin-3-ol (PubChem CID 79563086) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolidin-3-ol
PubChem CID79563086
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolidin-3-ol
SMILESOC1CCN(CC2CC3CCC2C3)C1
InChIInChI=1S/C12H21NO/c14-12-3-4-13(8-12)7-11-6-9-1-2-10(11)5-9/h9-12,14H,1-8H2
InChIKeyLXWUWKZCSHZIND-UHFFFAOYSA-N
XLogP1.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bicyclo[2.2.1]heptanylmethyl)azetidin-3-amine
CID 79558497
1-(2-bicyclo[2.2.1]heptanylmethyl)-4,6-dimethyl-1,5-diazocane
CID 63687029
1-(2-bicyclo[2.2.1]heptanylmethyl)-3,6-dimethyl-1,5-diazocane
CID 63686847
(3aR,6aS)-5-(2-bicyclo[2.2.1]heptanylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
CID 120660823
1-[1-(2-bicyclo[2.2.1]heptanylmethyl)piperidin-4-yl]-N-methylmethanamine
CID 79552323
1-(2-bicyclo[2.2.1]heptanylmethyl)-4-(1-chloroethyl)piperidine
CID 106838166
1-(2-bicyclo[2.2.1]heptanylmethyl)-4-(1-bromoethyl)piperidine
CID 106838393
2-[4-(2-bicyclo[2.2.1]heptanylmethyl)morpholin-2-yl]acetic acid
CID 79558606
1-[(2-amino-5-tert-butylcyclohexyl)methyl]pyrrolidin-3-ol
CID 62943220
2-[1-(2-bicyclo[2.2.1]heptanylmethyl)azetidin-3-yl]propanoic acid
CID 116683695
1-(2-bicyclo[2.2.1]heptanylmethyl)-3,7-dimethyl-1,5-diazocane
CID 63684288
ethyl (3S)-1-(2-bicyclo[2.2.1]heptanylmethyl)piperidine-3-carboxylate
CID 81338593

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolidin-3-ol?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolidin-3-ol (CID 79563086) is 1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolidin-3-ol?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolidin-3-ol is OC1CCN(CC2CC3CCC2C3)C1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolidin-3-ol?
The InChIKey is LXWUWKZCSHZIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c14-12-3-4-13(8-12)7-11-6-9-1-2-10(11)5-9/h9-12,14H,1-8H2.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolidin-3-ol?
1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolidin-3-ol has a molecular weight of 195.31 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 79563086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).