ethane;4-prop-1-ynyl-2,3-dihydropyridine

C10H15N — CID 144936121

IUPACethane;4-prop-1-ynyl-2,3-dihydropyridine
SMILESCC.CC#CC1=CC=NCC1
InChIInChI=1S/C8H9N.C2H6/c1-2-3-8-4-6-9-7-5-8;1-2/h4,6H,5,7H2,1H3;1-2H3
InChIKeyYZKJAGYVJHIAFO-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.44
Rot. Bonds

About ethane;4-prop-1-ynyl-2,3-dihydropyridine

ethane;4-prop-1-ynyl-2,3-dihydropyridine (PubChem CID 144936121) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is ethane;4-prop-1-ynyl-2,3-dihydropyridine.

Molecular Properties

Compound Nameethane;4-prop-1-ynyl-2,3-dihydropyridine
PubChem CID144936121
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Nameethane;4-prop-1-ynyl-2,3-dihydropyridine
SMILESCC.CC#CC1=CC=NCC1
InChIInChI=1S/C8H9N.C2H6/c1-2-3-8-4-6-9-7-5-8;1-2/h4,6H,5,7H2,1H3;1-2H3
InChIKeyYZKJAGYVJHIAFO-UHFFFAOYSA-N
XLogP2.44
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Methyl-2,3-dihydropyridine
CID 53634680
2-Fluoro-4-methyl-2,3-dihydropyridine
CID 90817887
(3R)-3-fluoro-4-methyl-2,3-dihydropyridine
CID 155454769
(Z)-N-ethyl-3-methylpent-2-en-1-imine
CID 14919843
4-Ethyl-2,3-dihydropyridine
CID 54137700
5-methyl-3H-pyridin-1-ium
CID 57233424
3,4-Dimethyl-2,3-dihydropyridine
CID 57300040
(Z)-N,3-dimethylpent-2-en-1-imine
CID 88890782
(E)-N,3-dimethylpent-2-en-1-imine
CID 89181124
(E)-N-ethyl-3-methylpent-2-en-1-imine
CID 89570012
N,3-dimethylpent-2-en-1-imine
CID 91072699
Ethane;5-methyl-2,3-dihydropyridine
CID 91099222

Frequently Asked Questions

What is the IUPAC name of ethane;4-prop-1-ynyl-2,3-dihydropyridine?
The IUPAC name of ethane;4-prop-1-ynyl-2,3-dihydropyridine (CID 144936121) is ethane;4-prop-1-ynyl-2,3-dihydropyridine.
What is the SMILES notation for ethane;4-prop-1-ynyl-2,3-dihydropyridine?
The canonical SMILES for ethane;4-prop-1-ynyl-2,3-dihydropyridine is CC.CC#CC1=CC=NCC1.
What is the InChIKey of ethane;4-prop-1-ynyl-2,3-dihydropyridine?
The InChIKey is YZKJAGYVJHIAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N.C2H6/c1-2-3-8-4-6-9-7-5-8;1-2/h4,6H,5,7H2,1H3;1-2H3.
What are the key properties of ethane;4-prop-1-ynyl-2,3-dihydropyridine?
ethane;4-prop-1-ynyl-2,3-dihydropyridine has a molecular weight of 149.24 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-prop-1-ynyl-2,3-dihydropyridine is sourced from PubChem (CID 144936121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).