[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1,2-dihydroacenaphthylen-5-yl)methanone

C19H22N2O — CID 120804153

IUPAC[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1,2-dihydroacenaphthylen-5-yl)methanone
SMILESCC1(CN)CCN(C(=O)c2ccc3c4c(cccc24)CC3)C1
InChIInChI=1S/C19H22N2O/c1-19(11-20)9-10-21(12-19)18(22)16-8-7-14-6-5-13-3-2-4-15(16)17(13)14/h2-4,7-8H,5-6,9-12,20H2,1H3
InChIKeyWDEGMDDRBVRTSA-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.75
Rot. Bonds2

About [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1,2-dihydroacenaphthylen-5-yl)methanone

[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1,2-dihydroacenaphthylen-5-yl)methanone (PubChem CID 120804153) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1,2-dihydroacenaphthylen-5-yl)methanone.

Molecular Properties

Compound Name[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1,2-dihydroacenaphthylen-5-yl)methanone
PubChem CID120804153
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1,2-dihydroacenaphthylen-5-yl)methanone
SMILESCC1(CN)CCN(C(=O)c2ccc3c4c(cccc24)CC3)C1
InChIInChI=1S/C19H22N2O/c1-19(11-20)9-10-21(12-19)18(22)16-8-7-14-6-5-13-3-2-4-15(16)17(13)14/h2-4,7-8H,5-6,9-12,20H2,1H3
InChIKeyWDEGMDDRBVRTSA-UHFFFAOYSA-N
XLogP2.75
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2,3-difluorophenyl)methanone
CID 120805675
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-benzofuran-3-yl)methanone
CID 120808215
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2,3-dichlorophenyl)methanone;hydrochloride
CID 120806072
4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1-methylquinolin-2-one
CID 120809193
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2-fluoro-4-methylphenyl)methanone;hydrochloride
CID 120805698
2-[1-(1,2-dihydroacenaphthylene-5-carbonyl)piperidin-4-yl]acetamide
CID 167936362
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(5-bromo-2-hydroxyphenyl)methanone;hydrochloride
CID 120806998
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 120806079
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2-nitrophenyl)methanone;hydrochloride
CID 120804354
3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-N,N-dimethylbenzamide;hydrochloride
CID 120808264
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2-propan-2-yloxyphenyl)methanone
CID 120804729
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-methyl-1H-pyrrol-3-yl)methanone;hydrochloride
CID 120806462

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1,2-dihydroacenaphthylen-5-yl)methanone?
The IUPAC name of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1,2-dihydroacenaphthylen-5-yl)methanone (CID 120804153) is [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1,2-dihydroacenaphthylen-5-yl)methanone.
What is the SMILES notation for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1,2-dihydroacenaphthylen-5-yl)methanone?
The canonical SMILES for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1,2-dihydroacenaphthylen-5-yl)methanone is CC1(CN)CCN(C(=O)c2ccc3c4c(cccc24)CC3)C1.
What is the InChIKey of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1,2-dihydroacenaphthylen-5-yl)methanone?
The InChIKey is WDEGMDDRBVRTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-19(11-20)9-10-21(12-19)18(22)16-8-7-14-6-5-13-3-2-4-15(16)17(13)14/h2-4,7-8H,5-6,9-12,20H2,1H3.
What are the key properties of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1,2-dihydroacenaphthylen-5-yl)methanone?
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1,2-dihydroacenaphthylen-5-yl)methanone has a molecular weight of 294.40 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1,2-dihydroacenaphthylen-5-yl)methanone is sourced from PubChem (CID 120804153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).