1-methyl-4-(2,3,4,5-tetrahydropyridin-6-ylamino)pyrrolidin-2-one

C10H17N3O — CID 130585461

IUPAC1-methyl-4-(2,3,4,5-tetrahydropyridin-6-ylamino)pyrrolidin-2-one
SMILESCN1CC(NC2=NCCCC2)CC1=O
InChIInChI=1S/C10H17N3O/c1-13-7-8(6-10(13)14)12-9-4-2-3-5-11-9/h8H,2-7H2,1H3,(H,11,12)
InChIKeyNMLMDCZFHKYOCA-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.39
Rot. Bonds1

About 1-methyl-4-(2,3,4,5-tetrahydropyridin-6-ylamino)pyrrolidin-2-one

1-methyl-4-(2,3,4,5-tetrahydropyridin-6-ylamino)pyrrolidin-2-one (PubChem CID 130585461) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 1-methyl-4-(2,3,4,5-tetrahydropyridin-6-ylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-4-(2,3,4,5-tetrahydropyridin-6-ylamino)pyrrolidin-2-one
PubChem CID130585461
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name1-methyl-4-(2,3,4,5-tetrahydropyridin-6-ylamino)pyrrolidin-2-one
SMILESCN1CC(NC2=NCCCC2)CC1=O
InChIInChI=1S/C10H17N3O/c1-13-7-8(6-10(13)14)12-9-4-2-3-5-11-9/h8H,2-7H2,1H3,(H,11,12)
InChIKeyNMLMDCZFHKYOCA-UHFFFAOYSA-N
XLogP0.39
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-3-imino-propyl)-5-(methylamino)-3,4-dihydro-2H-pyrrole-2-carboxamide
CID 135480743
N-(3-amino-3-imino-propyl)-5-(ethylamino)-3,4-dihydro-2H-pyrrole-2-carboxamide
CID 135480744
N-(3-amino-3-imino-propyl)-5-(propylamino)-3,4-dihydro-2H-pyrrole-2-carboxamide
CID 135480745
5-fluoro-2-pyrrolidin-2-yl-1H-pyrimidine-4,6-dione
CID 80550945
2-Methyl-4-[[(1-methylpiperidin-4-yl)amino]methyl]-1,4-dihydroimidazol-5-one
CID 59279731
(4R)-4-methyl-2-(1-methylpiperidin-2-yl)-4,5-dihydro-1H-pyrimidin-6-one
CID 90089630
3-(4,5-dihydro-1H-imidazol-2-yl)-N-propan-2-ylpropanamide
CID 117754019
4-methyl-2-(1-methylpiperidin-2-yl)-4,5-dihydro-1H-pyrimidin-6-one
CID 123442516
3-(4,5-dihydro-1H-imidazol-2-yl)-N-hexylpropanamide
CID 129144719
N-[2-(2-butyl-4,5-dihydroimidazol-1-yl)ethyl]pentanamide
CID 130236178
ethane;2-methyl-4-(piperidin-1-ylmethyl)-4,5-dihydro-1H-pyrimidin-6-one
CID 141822343
1,2-Dimethyl-4-(piperazin-1-ylmethyl)-4,5-dihydropyrimidin-6-one
CID 141822353

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2,3,4,5-tetrahydropyridin-6-ylamino)pyrrolidin-2-one?
The IUPAC name of 1-methyl-4-(2,3,4,5-tetrahydropyridin-6-ylamino)pyrrolidin-2-one (CID 130585461) is 1-methyl-4-(2,3,4,5-tetrahydropyridin-6-ylamino)pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-4-(2,3,4,5-tetrahydropyridin-6-ylamino)pyrrolidin-2-one?
The canonical SMILES for 1-methyl-4-(2,3,4,5-tetrahydropyridin-6-ylamino)pyrrolidin-2-one is CN1CC(NC2=NCCCC2)CC1=O.
What is the InChIKey of 1-methyl-4-(2,3,4,5-tetrahydropyridin-6-ylamino)pyrrolidin-2-one?
The InChIKey is NMLMDCZFHKYOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-13-7-8(6-10(13)14)12-9-4-2-3-5-11-9/h8H,2-7H2,1H3,(H,11,12).
What are the key properties of 1-methyl-4-(2,3,4,5-tetrahydropyridin-6-ylamino)pyrrolidin-2-one?
1-methyl-4-(2,3,4,5-tetrahydropyridin-6-ylamino)pyrrolidin-2-one has a molecular weight of 195.27 g/mol, XLogP of 0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2,3,4,5-tetrahydropyridin-6-ylamino)pyrrolidin-2-one is sourced from PubChem (CID 130585461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).