2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]acetamide

C16H26N2O — CID 98727736

IUPAC2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]acetamide
SMILESO=C(C[C@@H]1C[C@H]2CC[C@H]1C2)N[C@@H]1CCN(C2CC2)C1
InChIInChI=1S/C16H26N2O/c19-16(9-13-8-11-1-2-12(13)7-11)17-14-5-6-18(10-14)15-3-4-15/h11-15H,1-10H2,(H,17,19)/t11-,12-,13-,14+/m0/s1
InChIKeyNIWVQVYCSNINBN-XDQVBPFNSA-N
MW262.40 g/mol
LogP2.17
Rot. Bonds4

About 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]acetamide

2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]acetamide (PubChem CID 98727736) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]acetamide
PubChem CID98727736
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]acetamide
SMILESO=C(C[C@@H]1C[C@H]2CC[C@H]1C2)N[C@@H]1CCN(C2CC2)C1
InChIInChI=1S/C16H26N2O/c19-16(9-13-8-11-1-2-12(13)7-11)17-14-5-6-18(10-14)15-3-4-15/h11-15H,1-10H2,(H,17,19)/t11-,12-,13-,14+/m0/s1
InChIKeyNIWVQVYCSNINBN-XDQVBPFNSA-N
XLogP2.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]acetamide with MolForge

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-N-(4-bromocyclohexyl)acetamide
CID 114309119
2-(2-bicyclo[2.2.1]heptanyl)-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119449433
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 63627160
3-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 66031304
2-(2-bicyclo[2.2.1]heptanyl)-N-(4-oxocyclohexyl)acetamide
CID 43652801
N-(1-cyclopropylpyrrolidin-3-yl)-2-piperidin-3-ylacetamide
CID 62675472
2-(2-bicyclo[2.2.1]heptanylmethylamino)-N-cycloheptylacetamide
CID 63683149
2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(chloromethyl)cyclopentyl]acetamide
CID 106365961
2-(4-bromophenyl)-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]acetamide
CID 94795684
1-cyclobutyl-3-(1-cyclopropylpyrrolidin-3-yl)urea
CID 115629326
2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]acetic acid
CID 11457802
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl chloride
CID 124526975

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]acetamide?
The IUPAC name of 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]acetamide (CID 98727736) is 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]acetamide is O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)N[C@@H]1CCN(C2CC2)C1.
What is the InChIKey of 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]acetamide?
The InChIKey is NIWVQVYCSNINBN-XDQVBPFNSA-N. The full InChI is InChI=1S/C16H26N2O/c19-16(9-13-8-11-1-2-12(13)7-11)17-14-5-6-18(10-14)15-3-4-15/h11-15H,1-10H2,(H,17,19)/t11-,12-,13-,14+/m0/s1.
What are the key properties of 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]acetamide?
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]acetamide has a molecular weight of 262.40 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]acetamide is sourced from PubChem (CID 98727736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).