(5Z)-6-butan-2-yl-5-but-2-enylidene-3,4-dihydro-2H-pyridine

C13H21N — CID 91475179

IUPAC(5Z)-6-butan-2-yl-5-but-2-enylidene-3,4-dihydro-2H-pyridine
SMILESCC=C/C=C1/CCCN=C1C(C)CC
InChIInChI=1S/C13H21N/c1-4-6-8-12-9-7-10-14-13(12)11(3)5-2/h4,6,8,11H,5,7,9-10H2,1-3H3/b6-4?,12-8-
InChIKeyMZIWABRHYPLGCW-NCLGBGCOSA-N
MW191.32 g/mol
LogP3.77
Rot. Bonds3

About (5Z)-6-butan-2-yl-5-but-2-enylidene-3,4-dihydro-2H-pyridine

(5Z)-6-butan-2-yl-5-but-2-enylidene-3,4-dihydro-2H-pyridine (PubChem CID 91475179) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is (5Z)-6-butan-2-yl-5-but-2-enylidene-3,4-dihydro-2H-pyridine.

Molecular Properties

Compound Name(5Z)-6-butan-2-yl-5-but-2-enylidene-3,4-dihydro-2H-pyridine
PubChem CID91475179
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name(5Z)-6-butan-2-yl-5-but-2-enylidene-3,4-dihydro-2H-pyridine
SMILESCC=C/C=C1/CCCN=C1C(C)CC
InChIInChI=1S/C13H21N/c1-4-6-8-12-9-7-10-14-13(12)11(3)5-2/h4,6,8,11H,5,7,9-10H2,1-3H3/b6-4?,12-8-
InChIKeyMZIWABRHYPLGCW-NCLGBGCOSA-N
XLogP3.77
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

CID 6445873
CID 6445873
Lanopylin A1
CID 9883534
5-Methyl-4-(15-methylhexadecylidene)-3,4-dihydro-2H-pyrrole
CID 71374075
2H-1-Pyridine, 5-(1-butenyl)-3,4,6,7-tetrahydro-3-methyl-, hydrochloride, (E)-(+)-
CID 6445872
Lanopylin A2
CID 11427950
(4Z)-5-methyl-4-(15-methylhexadecylidene)-2,3-dihydropyrrole
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5-Methyl-4-(17-methyloctadec-12-enylidene)-2,3-dihydropyrrole
CID 72957572
9-Fluoro-2,7-dimethyl-3,4,4a,5,6,10a-hexahydrocycloocta[b]pyridine
CID 123688718
3-methyl-6-[(3E,5E)-2,6,7-trifluorohepta-1,3,5-trien-4-yl]-2,3,4,5-tetrahydropyridine
CID 166963371
(2S)-2-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-5-propan-2-yl-3,4-dihydro-2H-pyrrole
CID 167026133
5-methyl-2-(6-methylhept-5-en-2-yl)-3,4-dihydro-2H-pyrrole
CID 102519273
(3aR,9aS,9bS)-6,9a-dimethyl-3,3a,4,9b-tetrahydrocyclopenta[c]quinoline
CID 134983011

Frequently Asked Questions

What is the IUPAC name of (5Z)-6-butan-2-yl-5-but-2-enylidene-3,4-dihydro-2H-pyridine?
The IUPAC name of (5Z)-6-butan-2-yl-5-but-2-enylidene-3,4-dihydro-2H-pyridine (CID 91475179) is (5Z)-6-butan-2-yl-5-but-2-enylidene-3,4-dihydro-2H-pyridine.
What is the SMILES notation for (5Z)-6-butan-2-yl-5-but-2-enylidene-3,4-dihydro-2H-pyridine?
The canonical SMILES for (5Z)-6-butan-2-yl-5-but-2-enylidene-3,4-dihydro-2H-pyridine is CC=C/C=C1/CCCN=C1C(C)CC.
What is the InChIKey of (5Z)-6-butan-2-yl-5-but-2-enylidene-3,4-dihydro-2H-pyridine?
The InChIKey is MZIWABRHYPLGCW-NCLGBGCOSA-N. The full InChI is InChI=1S/C13H21N/c1-4-6-8-12-9-7-10-14-13(12)11(3)5-2/h4,6,8,11H,5,7,9-10H2,1-3H3/b6-4?,12-8-.
What are the key properties of (5Z)-6-butan-2-yl-5-but-2-enylidene-3,4-dihydro-2H-pyridine?
(5Z)-6-butan-2-yl-5-but-2-enylidene-3,4-dihydro-2H-pyridine has a molecular weight of 191.32 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-6-butan-2-yl-5-but-2-enylidene-3,4-dihydro-2H-pyridine is sourced from PubChem (CID 91475179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).