(2Z)-2-hexa-3,4-dien-2-ylidene-1H-pyridine

C11H13N — CID 177235689

IUPAC(2Z)-2-hexa-3,4-dien-2-ylidene-1H-pyridine
SMILESCC=C=C/C(C)=C1/C=CC=CN1
InChIInChI=1S/C11H13N/c1-3-4-7-10(2)11-8-5-6-9-12-11/h3,5-9,12H,1-2H3/b11-10-
InChIKeyPJHPLIQVJHAKJG-KHPPLWFESA-N
MW159.23 g/mol
LogP2.66
Rot. Bonds1

About (2Z)-2-hexa-3,4-dien-2-ylidene-1H-pyridine

(2Z)-2-hexa-3,4-dien-2-ylidene-1H-pyridine (PubChem CID 177235689) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is (2Z)-2-hexa-3,4-dien-2-ylidene-1H-pyridine.

Molecular Properties

Compound Name(2Z)-2-hexa-3,4-dien-2-ylidene-1H-pyridine
PubChem CID177235689
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name(2Z)-2-hexa-3,4-dien-2-ylidene-1H-pyridine
SMILESCC=C=C/C(C)=C1/C=CC=CN1
InChIInChI=1S/C11H13N/c1-3-4-7-10(2)11-8-5-6-9-12-11/h3,5-9,12H,1-2H3/b11-10-
InChIKeyPJHPLIQVJHAKJG-KHPPLWFESA-N
XLogP2.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(dibromomethylidene)-1H-pyridine
CID 167443369
1H-pyridin-2-ylidenemethanol
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(2Z)-2-(1H-pyridin-2-ylidene)acetic acid
CID 101366543
2-penta-1,3-dien-2-yl-1H-azepine
CID 174641220
ethene;2-(1H-pyridin-2-ylidene)-1H-pyridine
CID 175098861
azane;1H-pyridin-2-ylidenemethanone
CID 87709743
(2Z)-2-(3-methylbutylidene)-1H-pyridine
CID 143595201
ethyl (E,2E,5R)-4-methyl-5-phenyl-5-propan-2-ylsulfanyl-2-(1H-pyridin-2-ylidene)pent-3-enoate
CID 163504702
ethyl (2E)-2-(1H-pyridin-2-ylidene)acetate
CID 154723056
2-[2-(trifluoromethyl)prop-2-enylidene]-1H-pyridine
CID 170909813
(3-chloro-1H-azepin-2-yl)methanol
CID 168865515
(2E)-4-methylideneocta-2,5,6-trien-2-amine
CID 176530983

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-hexa-3,4-dien-2-ylidene-1H-pyridine?
The IUPAC name of (2Z)-2-hexa-3,4-dien-2-ylidene-1H-pyridine (CID 177235689) is (2Z)-2-hexa-3,4-dien-2-ylidene-1H-pyridine.
What is the SMILES notation for (2Z)-2-hexa-3,4-dien-2-ylidene-1H-pyridine?
The canonical SMILES for (2Z)-2-hexa-3,4-dien-2-ylidene-1H-pyridine is CC=C=C/C(C)=C1/C=CC=CN1.
What is the InChIKey of (2Z)-2-hexa-3,4-dien-2-ylidene-1H-pyridine?
The InChIKey is PJHPLIQVJHAKJG-KHPPLWFESA-N. The full InChI is InChI=1S/C11H13N/c1-3-4-7-10(2)11-8-5-6-9-12-11/h3,5-9,12H,1-2H3/b11-10-.
What are the key properties of (2Z)-2-hexa-3,4-dien-2-ylidene-1H-pyridine?
(2Z)-2-hexa-3,4-dien-2-ylidene-1H-pyridine has a molecular weight of 159.23 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-hexa-3,4-dien-2-ylidene-1H-pyridine is sourced from PubChem (CID 177235689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).