(1R,2R,4S)-N-propylbicyclo[2.2.1]heptane-2-carboxamide

C11H19NO — CID 11074023

IUPAC(1R,2R,4S)-N-propylbicyclo[2.2.1]heptane-2-carboxamide
SMILESCCCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C11H19NO/c1-2-5-12-11(13)10-7-8-3-4-9(10)6-8/h8-10H,2-7H2,1H3,(H,12,13)/t8-,9+,10+/m0/s1
InChIKeyVKIUNJAGPMQWRZ-IVZWLZJFSA-N
MW181.28 g/mol
LogP1.95
Rot. Bonds3

About (1R,2R,4S)-N-propylbicyclo[2.2.1]heptane-2-carboxamide

(1R,2R,4S)-N-propylbicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 11074023) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (1R,2R,4S)-N-propylbicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name(1R,2R,4S)-N-propylbicyclo[2.2.1]heptane-2-carboxamide
PubChem CID11074023
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(1R,2R,4S)-N-propylbicyclo[2.2.1]heptane-2-carboxamide
SMILESCCCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C11H19NO/c1-2-5-12-11(13)10-7-8-3-4-9(10)6-8/h8-10H,2-7H2,1H3,(H,12,13)/t8-,9+,10+/m0/s1
InChIKeyVKIUNJAGPMQWRZ-IVZWLZJFSA-N
XLogP1.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,2S,4S)-N-[2-[[(1S,2S,4S)-bicyclo[2.2.1]heptane-2-carbonyl]amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 124716151
(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
(1R,2R,4R)-N-octylbicyclo[2.2.1]heptane-2-carboxamide
CID 98289110
N-[3-(bicyclo[2.2.1]heptane-2-carbonylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 4122681
N-(3-aminopropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 61365117
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
N-(5-chloropentyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 107321626
7-(bicyclo[2.2.1]heptane-2-carbonylamino)heptanoic acid
CID 43209972
5-(bicyclo[2.2.1]heptane-2-carbonylamino)-2-methylpentanoic acid
CID 113440573
N-(2-amino-2-oxoethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 10104138
(1S,2R,4S)-N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 98759277

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S)-N-propylbicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of (1R,2R,4S)-N-propylbicyclo[2.2.1]heptane-2-carboxamide (CID 11074023) is (1R,2R,4S)-N-propylbicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for (1R,2R,4S)-N-propylbicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for (1R,2R,4S)-N-propylbicyclo[2.2.1]heptane-2-carboxamide is CCCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1C2.
What is the InChIKey of (1R,2R,4S)-N-propylbicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is VKIUNJAGPMQWRZ-IVZWLZJFSA-N. The full InChI is InChI=1S/C11H19NO/c1-2-5-12-11(13)10-7-8-3-4-9(10)6-8/h8-10H,2-7H2,1H3,(H,12,13)/t8-,9+,10+/m0/s1.
What are the key properties of (1R,2R,4S)-N-propylbicyclo[2.2.1]heptane-2-carboxamide?
(1R,2R,4S)-N-propylbicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 181.28 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S)-N-propylbicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 11074023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).