5-(1-methylpyrrolidin-2-yl)-1-prop-1-ynyl-2H-pyridine

C13H18N2 — CID 67649270

IUPAC5-(1-methylpyrrolidin-2-yl)-1-prop-1-ynyl-2H-pyridine
SMILESCC#CN1C=C(C2CCCN2C)C=CC1
InChIInChI=1S/C13H18N2/c1-3-8-15-10-4-6-12(11-15)13-7-5-9-14(13)2/h4,6,11,13H,5,7,9-10H2,1-2H3
InChIKeyLSUBCZFICWLSBD-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.82
Rot. Bonds1

About 5-(1-methylpyrrolidin-2-yl)-1-prop-1-ynyl-2H-pyridine

5-(1-methylpyrrolidin-2-yl)-1-prop-1-ynyl-2H-pyridine (PubChem CID 67649270) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 5-(1-methylpyrrolidin-2-yl)-1-prop-1-ynyl-2H-pyridine.

Molecular Properties

Compound Name5-(1-methylpyrrolidin-2-yl)-1-prop-1-ynyl-2H-pyridine
PubChem CID67649270
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name5-(1-methylpyrrolidin-2-yl)-1-prop-1-ynyl-2H-pyridine
SMILESCC#CN1C=C(C2CCCN2C)C=CC1
InChIInChI=1S/C13H18N2/c1-3-8-15-10-4-6-12(11-15)13-7-5-9-14(13)2/h4,6,11,13H,5,7,9-10H2,1-2H3
InChIKeyLSUBCZFICWLSBD-UHFFFAOYSA-N
XLogP1.82
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-[1-chloro-2-(4-ethynylphenyl)cyclohexa-2,4-dien-1-yl]-5-(1-methylpyrrolidin-2-yl)-2H-pyridine
CID 151599273
3-[(2S)-1-methylpyrrolidin-2-yl]-1,4-dihydropyridine
CID 45088833
4-(1-methylpyrrolidin-2-yl)pyridine-3-carbonitrile
CID 115017322
CID 11642597
CID 11642597
2-(1-methylpyrrolidin-2-yl)pyrimidine
CID 89060530
N-[1-(6-methyl-2-pyridinyl)-2-[5-(1-methylpyrrolidin-2-yl)-2H-pyridin-1-yl]ethyl]-1H-indazol-5-amine
CID 70183038
(2S)-1-methyl-2-(3-methylphenyl)pyrrolidine
CID 102036806
1-[5-chloro-3-[5-[(2R)-1-methylpyrrolidin-2-yl]-2H-pyridin-1-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-propan-2-ylpiperidin-3-amine
CID 150767319
2-methyl-5-(1-methylpyrrolidin-2-yl)pyridine
CID 5020711
6-(1-methylpyrrolidin-2-yl)pyridine-3-carbonitrile
CID 115017325
3-ethynyl-5-[(2R)-1-methylpyrrolidin-2-yl]pyridine
CID 10559473
2-(3,5-ditert-butylphenyl)-1-methylpyrrolidine
CID 102300432

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpyrrolidin-2-yl)-1-prop-1-ynyl-2H-pyridine?
The IUPAC name of 5-(1-methylpyrrolidin-2-yl)-1-prop-1-ynyl-2H-pyridine (CID 67649270) is 5-(1-methylpyrrolidin-2-yl)-1-prop-1-ynyl-2H-pyridine.
What is the SMILES notation for 5-(1-methylpyrrolidin-2-yl)-1-prop-1-ynyl-2H-pyridine?
The canonical SMILES for 5-(1-methylpyrrolidin-2-yl)-1-prop-1-ynyl-2H-pyridine is CC#CN1C=C(C2CCCN2C)C=CC1.
What is the InChIKey of 5-(1-methylpyrrolidin-2-yl)-1-prop-1-ynyl-2H-pyridine?
The InChIKey is LSUBCZFICWLSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-3-8-15-10-4-6-12(11-15)13-7-5-9-14(13)2/h4,6,11,13H,5,7,9-10H2,1-2H3.
What are the key properties of 5-(1-methylpyrrolidin-2-yl)-1-prop-1-ynyl-2H-pyridine?
5-(1-methylpyrrolidin-2-yl)-1-prop-1-ynyl-2H-pyridine has a molecular weight of 202.30 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpyrrolidin-2-yl)-1-prop-1-ynyl-2H-pyridine is sourced from PubChem (CID 67649270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).