1-[2-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone

C18H30N2O — CID 119766499

IUPAC1-[2-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone
SMILESO=C(CC1CCCN1)N1CCCC1CC1CC2CCC1C2
InChIInChI=1S/C18H30N2O/c21-18(12-16-3-1-7-19-16)20-8-2-4-17(20)11-15-10-13-5-6-14(15)9-13/h13-17,19H,1-12H2
InChIKeySXTATWYZRSAQDV-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.95
Rot. Bonds4

About 1-[2-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone

1-[2-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone (PubChem CID 119766499) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-[2-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone.

Molecular Properties

Compound Name1-[2-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone
PubChem CID119766499
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name1-[2-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone
SMILESO=C(CC1CCCN1)N1CCCC1CC1CC2CCC1C2
InChIInChI=1S/C18H30N2O/c21-18(12-16-3-1-7-19-16)20-8-2-4-17(20)11-15-10-13-5-6-14(15)9-13/h13-17,19H,1-12H2
InChIKeySXTATWYZRSAQDV-UHFFFAOYSA-N
XLogP2.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[2-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolidin-1-yl]ethanone
CID 119766487
1-[2-(cyclohexylmethyl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone
CID 119757583
1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone
CID 107218090
1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone
CID 107217877
1-[2-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolidin-1-yl]-2-(methylamino)ethanone
CID 119766483
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-piperidin-2-ylethanone
CID 61409850
3-amino-1-[2-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolidin-1-yl]butan-1-one;hydrochloride
CID 119766494
1-[2-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone
CID 119766501
1-[2-[2-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 102554512
1-(2,3-dimethylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone
CID 62122858
N-[3-[(2R)-2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]pyrrolidin-1-yl]-3-oxopropyl]methanesulfonamide
CID 98756584
[1-(2-pyrrolidin-2-ylacetyl)piperidin-2-yl]methylurea
CID 119765949

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone?
The IUPAC name of 1-[2-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone (CID 119766499) is 1-[2-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone.
What is the SMILES notation for 1-[2-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone?
The canonical SMILES for 1-[2-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone is O=C(CC1CCCN1)N1CCCC1CC1CC2CCC1C2.
What is the InChIKey of 1-[2-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone?
The InChIKey is SXTATWYZRSAQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c21-18(12-16-3-1-7-19-16)20-8-2-4-17(20)11-15-10-13-5-6-14(15)9-13/h13-17,19H,1-12H2.
What are the key properties of 1-[2-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone?
1-[2-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone has a molecular weight of 290.45 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone is sourced from PubChem (CID 119766499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).