(5Z)-5-butylidene-3,4-dihydro-2H-pyridine

C9H15N — CID 123695544

IUPAC(5Z)-5-butylidene-3,4-dihydro-2H-pyridine
SMILESCCC/C=C1\C=NCCC1
InChIInChI=1S/C9H15N/c1-2-3-5-9-6-4-7-10-8-9/h5,8H,2-4,6-7H2,1H3/b9-5-
InChIKeyIPGALQODPFDXKP-UITAMQMPSA-N
MW137.23 g/mol
LogP2.58
Rot. Bonds2

About (5Z)-5-butylidene-3,4-dihydro-2H-pyridine

(5Z)-5-butylidene-3,4-dihydro-2H-pyridine (PubChem CID 123695544) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is (5Z)-5-butylidene-3,4-dihydro-2H-pyridine.

Molecular Properties

Compound Name(5Z)-5-butylidene-3,4-dihydro-2H-pyridine
PubChem CID123695544
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name(5Z)-5-butylidene-3,4-dihydro-2H-pyridine
SMILESCCC/C=C1\C=NCCC1
InChIInChI=1S/C9H15N/c1-2-3-5-9-6-4-7-10-8-9/h5,8H,2-4,6-7H2,1H3/b9-5-
InChIKeyIPGALQODPFDXKP-UITAMQMPSA-N
XLogP2.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-Methyl-2,3-dihydropyridine
CID 53634680
(1E)-N-Butyl-2-ethylhex-2-en-1-imine
CID 71362789
(3S)-4-ethyl-3-fluoro-2,3-dihydropyridine
CID 134404676
2-(1-Fluoroethyl)-5-methyl-2,3-dihydropyridine
CID 143887758
(E)-N-cyclohexyl-2-ethylbut-2-en-1-imine
CID 127262357
N-(2-ethyl-2-hexenylidene)propylamine
CID 129806324
(S,e)-5-(2-methylbutylidene)-2,3,4,5-tetrahydropyridine
CID 129849200
(E)-N,2-dimethylpent-2-en-1-imine
CID 12475952
2,5-Dimethyl-2,3-dihydropyridine
CID 20872587
(E)-N-cyclohexyl-2-ethylhept-2-en-1-imine
CID 23394363
2,4-Dimethyl-2,3-dihydropyridine
CID 53803640
5-Methyl-2,3-dihydropyridine
CID 53854191

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-butylidene-3,4-dihydro-2H-pyridine?
The IUPAC name of (5Z)-5-butylidene-3,4-dihydro-2H-pyridine (CID 123695544) is (5Z)-5-butylidene-3,4-dihydro-2H-pyridine.
What is the SMILES notation for (5Z)-5-butylidene-3,4-dihydro-2H-pyridine?
The canonical SMILES for (5Z)-5-butylidene-3,4-dihydro-2H-pyridine is CCC/C=C1\C=NCCC1.
What is the InChIKey of (5Z)-5-butylidene-3,4-dihydro-2H-pyridine?
The InChIKey is IPGALQODPFDXKP-UITAMQMPSA-N. The full InChI is InChI=1S/C9H15N/c1-2-3-5-9-6-4-7-10-8-9/h5,8H,2-4,6-7H2,1H3/b9-5-.
What are the key properties of (5Z)-5-butylidene-3,4-dihydro-2H-pyridine?
(5Z)-5-butylidene-3,4-dihydro-2H-pyridine has a molecular weight of 137.23 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-butylidene-3,4-dihydro-2H-pyridine is sourced from PubChem (CID 123695544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).