(5Z)-2-but-2-en-2-yl-6-pent-2-en-2-yl-3-[(Z)-prop-1-enyl]-5-propylidene-4H-pyridine

C20H29N — CID 91090148

IUPAC(5Z)-2-but-2-en-2-yl-6-pent-2-en-2-yl-3-[(Z)-prop-1-enyl]-5-propylidene-4H-pyridine
SMILESCC=C(C)C1=C(/C=C\C)C/C(=C/CC)C(C(C)=CCC)=N1
InChIInChI=1S/C20H29N/c1-7-11-16(6)20-18(13-9-3)14-17(12-8-2)19(21-20)15(5)10-4/h8,10-13H,7,9,14H2,1-6H3/b12-8-,15-10?,16-11?,18-13-
InChIKeyQVCFAAWCCSXBCC-MVEUKDTDSA-N
MW283.46 g/mol
LogP6.32
Rot. Bonds5

About (5Z)-2-but-2-en-2-yl-6-pent-2-en-2-yl-3-[(Z)-prop-1-enyl]-5-propylidene-4H-pyridine

(5Z)-2-but-2-en-2-yl-6-pent-2-en-2-yl-3-[(Z)-prop-1-enyl]-5-propylidene-4H-pyridine (PubChem CID 91090148) has the molecular formula C20H29N and a molecular weight of 283.46 g/mol. Its IUPAC name is (5Z)-2-but-2-en-2-yl-6-pent-2-en-2-yl-3-[(Z)-prop-1-enyl]-5-propylidene-4H-pyridine.

Molecular Properties

Compound Name(5Z)-2-but-2-en-2-yl-6-pent-2-en-2-yl-3-[(Z)-prop-1-enyl]-5-propylidene-4H-pyridine
PubChem CID91090148
Molecular FormulaC20H29N
Molecular Weight283.46 g/mol
Exact Mass283.23
IUPAC Name(5Z)-2-but-2-en-2-yl-6-pent-2-en-2-yl-3-[(Z)-prop-1-enyl]-5-propylidene-4H-pyridine
SMILESCC=C(C)C1=C(/C=C\C)C/C(=C/CC)C(C(C)=CCC)=N1
InChIInChI=1S/C20H29N/c1-7-11-16(6)20-18(13-9-3)14-17(12-8-2)19(21-20)15(5)10-4/h8,10-13H,7,9,14H2,1-6H3/b12-8-,15-10?,16-11?,18-13-
InChIKeyQVCFAAWCCSXBCC-MVEUKDTDSA-N
XLogP6.32
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.46
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (5Z)-2-but-2-en-2-yl-6-pent-2-en-2-yl-3-[(Z)-prop-1-enyl]-5-propylidene-4H-pyridine with MolForge

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Related Compounds

1-N,2-N-dimethyl-3,6-bis[(2E)-5-methylhexa-2,4-dien-2-yl]cyclohexa-3,5-diene-1,2-diimine
CID 20762105
2-methyl-4,5-dihydro-3H-indole
CID 59759818
6,8-Dimethyl-1,2-dihydroindeno[1,2-b]indole
CID 67749665
9,10-Dihydrodibenz[b,f]azepine
CID 69591429
2-Methyl-3,6-dimethylidenepyridine
CID 70499080
2-Hexylideneindole
CID 87404983
(5Z,6E)-2-methyl-6-prop-2-enylidene-3-propyl-5-propylidenepyridine
CID 89256584
N-[(4E)-2-methylhexa-2,4-dien-3-yl]-6-methylidenecyclohexa-2,4-dien-1-imine
CID 89441658
2-[(3E)-hepta-1,3-dien-4-yl]-5-methylidenepyrrole
CID 90261573
N-(5-ethyl-5-methyl-2-prop-1-en-2-ylcyclohepta-1,3,6-trien-1-yl)heptan-2-imine
CID 91372726
4-Methyl-3-prop-1-enyl-2-azabicyclo[6.4.0]dodeca-1,3,6,7,9,11-hexaene
CID 91571912
(Z)-N-[(3E)-5-ethylidene-3-methylocta-1,3,6-trien-2-yl]hex-4-en-3-imine
CID 123293045

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-but-2-en-2-yl-6-pent-2-en-2-yl-3-[(Z)-prop-1-enyl]-5-propylidene-4H-pyridine?
The IUPAC name of (5Z)-2-but-2-en-2-yl-6-pent-2-en-2-yl-3-[(Z)-prop-1-enyl]-5-propylidene-4H-pyridine (CID 91090148) is (5Z)-2-but-2-en-2-yl-6-pent-2-en-2-yl-3-[(Z)-prop-1-enyl]-5-propylidene-4H-pyridine.
What is the SMILES notation for (5Z)-2-but-2-en-2-yl-6-pent-2-en-2-yl-3-[(Z)-prop-1-enyl]-5-propylidene-4H-pyridine?
The canonical SMILES for (5Z)-2-but-2-en-2-yl-6-pent-2-en-2-yl-3-[(Z)-prop-1-enyl]-5-propylidene-4H-pyridine is CC=C(C)C1=C(/C=C\C)C/C(=C/CC)C(C(C)=CCC)=N1.
What is the InChIKey of (5Z)-2-but-2-en-2-yl-6-pent-2-en-2-yl-3-[(Z)-prop-1-enyl]-5-propylidene-4H-pyridine?
The InChIKey is QVCFAAWCCSXBCC-MVEUKDTDSA-N. The full InChI is InChI=1S/C20H29N/c1-7-11-16(6)20-18(13-9-3)14-17(12-8-2)19(21-20)15(5)10-4/h8,10-13H,7,9,14H2,1-6H3/b12-8-,15-10?,16-11?,18-13-.
What are the key properties of (5Z)-2-but-2-en-2-yl-6-pent-2-en-2-yl-3-[(Z)-prop-1-enyl]-5-propylidene-4H-pyridine?
(5Z)-2-but-2-en-2-yl-6-pent-2-en-2-yl-3-[(Z)-prop-1-enyl]-5-propylidene-4H-pyridine has a molecular weight of 283.46 g/mol, XLogP of 6.32, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-but-2-en-2-yl-6-pent-2-en-2-yl-3-[(Z)-prop-1-enyl]-5-propylidene-4H-pyridine is sourced from PubChem (CID 91090148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).