N-(2-pyrrolidin-2-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide

C14H24N2O — CID 114793916

IUPACN-(2-pyrrolidin-2-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NCCC1CCCN1)C1CC2CCC1C2
InChIInChI=1S/C14H24N2O/c17-14(13-9-10-3-4-11(13)8-10)16-7-5-12-2-1-6-15-12/h10-13,15H,1-9H2,(H,16,17)
InChIKeyJRQICKPLNOZIFP-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.68
Rot. Bonds4

About N-(2-pyrrolidin-2-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide

N-(2-pyrrolidin-2-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 114793916) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-(2-pyrrolidin-2-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(2-pyrrolidin-2-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID114793916
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-(2-pyrrolidin-2-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NCCC1CCCN1)C1CC2CCC1C2
InChIInChI=1S/C14H24N2O/c17-14(13-9-10-3-4-11(13)8-10)16-7-5-12-2-1-6-15-12/h10-13,15H,1-9H2,(H,16,17)
InChIKeyJRQICKPLNOZIFP-UHFFFAOYSA-N
XLogP1.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S,4R)-N-[2-[[(1R,2R,4R)-bicyclo[2.2.1]heptane-2-carbonyl]amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 98123961
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]cyclopentanecarboxamide
CID 104972065
(1R,2R,4S)-N-propylbicyclo[2.2.1]heptane-2-carboxamide
CID 11074023
2-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]oxolane-3-carboxamide
CID 104971935
N-(2-pyrrolidin-2-ylethyl)cyclopent-3-ene-1-carboxamide
CID 114793726
N-methyl-N-(pyrrolidin-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 106607658
2,2-dimethyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]cyclopropane-1-carboxamide
CID 104954995
1-ethyl-3-[2-[(2R)-pyrrolidin-2-yl]ethyl]urea
CID 104972281
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]propanamide
CID 104955188
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]prop-2-ynamide
CID 104972266
N-(3-chlorobutyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 114301869
3-[[(1S,2S,4R)-bicyclo[2.2.1]heptane-2-carbonyl]amino]propyl-trimethylazanium
CID 23306656

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-2-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(2-pyrrolidin-2-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide (CID 114793916) is N-(2-pyrrolidin-2-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(2-pyrrolidin-2-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(2-pyrrolidin-2-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide is O=C(NCCC1CCCN1)C1CC2CCC1C2.
What is the InChIKey of N-(2-pyrrolidin-2-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is JRQICKPLNOZIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c17-14(13-9-10-3-4-11(13)8-10)16-7-5-12-2-1-6-15-12/h10-13,15H,1-9H2,(H,16,17).
What are the key properties of N-(2-pyrrolidin-2-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide?
N-(2-pyrrolidin-2-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 236.36 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-2-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 114793916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).