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

C11H17NO — CID 7302454

IUPAC(1S,2S,4S)-N-cyclopropylbicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NC1CC1)[C@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C11H17NO/c13-11(12-9-3-4-9)10-6-7-1-2-8(10)5-7/h7-10H,1-6H2,(H,12,13)/t7-,8-,10-/m0/s1
InChIKeyUNZRVOFNIDRQJO-NRPADANISA-N
MW179.26 g/mol
LogP1.70
Rot. Bonds2

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

(1S,2S,4S)-N-cyclopropylbicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 7302454) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is (1S,2S,4S)-N-cyclopropylbicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name(1S,2S,4S)-N-cyclopropylbicyclo[2.2.1]heptane-2-carboxamide
PubChem CID7302454
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name(1S,2S,4S)-N-cyclopropylbicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NC1CC1)[C@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C11H17NO/c13-11(12-9-3-4-9)10-6-7-1-2-8(10)5-7/h7-10H,1-6H2,(H,12,13)/t7-,8-,10-/m0/s1
InChIKeyUNZRVOFNIDRQJO-NRPADANISA-N
XLogP1.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbohydrazide
CID 6993760
(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
(1S,2R,4S)-N-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 98790786
(3R)-1-[(1S,2S,4S)-bicyclo[2.2.1]heptane-2-carbonyl]-N-cyclopropylpiperidine-3-carboxamide
CID 100569886
N-[3-(bicyclo[2.2.1]heptane-2-carbonylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 4122681
N-(1-azaspiro[5.5]undecan-4-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 43595645
(1S,4R)-N-(2-methyl-5-oxooxolan-3-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 70897761
N-(4-methylpyrrolidin-3-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 104826199
(1S,2R,4R)-bicyclo[2.2.1]heptane-2-carboxylate
CID 19564455
(1R,2R,4R)-N-[[(1R,5S)-5-[[(1R,2R,4R)-bicyclo[2.2.1]heptane-2-carbonyl]amino]-1,3,3-trimethylcyclohexyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 98289118
N-(2,4,4-trimethylpentan-2-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 75689779

Frequently Asked Questions

What is the IUPAC name of (1S,2S,4S)-N-cyclopropylbicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of (1S,2S,4S)-N-cyclopropylbicyclo[2.2.1]heptane-2-carboxamide (CID 7302454) is (1S,2S,4S)-N-cyclopropylbicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for (1S,2S,4S)-N-cyclopropylbicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for (1S,2S,4S)-N-cyclopropylbicyclo[2.2.1]heptane-2-carboxamide is O=C(NC1CC1)[C@H]1C[C@H]2CC[C@H]1C2.
What is the InChIKey of (1S,2S,4S)-N-cyclopropylbicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is UNZRVOFNIDRQJO-NRPADANISA-N. The full InChI is InChI=1S/C11H17NO/c13-11(12-9-3-4-9)10-6-7-1-2-8(10)5-7/h7-10H,1-6H2,(H,12,13)/t7-,8-,10-/m0/s1.
What are the key properties of (1S,2S,4S)-N-cyclopropylbicyclo[2.2.1]heptane-2-carboxamide?
(1S,2S,4S)-N-cyclopropylbicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 179.26 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4S)-N-cyclopropylbicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 7302454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).