(1Z)-2-[(Z)-(2-methylidene-3-pyridinylidene)methyl]buta-1,3-dien-1-amine

C11H12N2 — CID 88962072

IUPAC(1Z)-2-[(Z)-(2-methylidene-3-pyridinylidene)methyl]buta-1,3-dien-1-amine
SMILESC=CC(=C/N)/C=c1/cccnc1=C
InChIInChI=1S/C11H12N2/c1-3-10(8-12)7-11-5-4-6-13-9(11)2/h3-8H,1-2,12H2/b10-8-,11-7-
InChIKeyOJMPRAWZHIDUIB-ACBQZUGDSA-N
MW172.23 g/mol
LogP0.30
Rot. Bonds2

About (1Z)-2-[(Z)-(2-methylidene-3-pyridinylidene)methyl]buta-1,3-dien-1-amine

(1Z)-2-[(Z)-(2-methylidene-3-pyridinylidene)methyl]buta-1,3-dien-1-amine (PubChem CID 88962072) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is (1Z)-2-[(Z)-(2-methylidene-3-pyridinylidene)methyl]buta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z)-2-[(Z)-(2-methylidene-3-pyridinylidene)methyl]buta-1,3-dien-1-amine
PubChem CID88962072
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name(1Z)-2-[(Z)-(2-methylidene-3-pyridinylidene)methyl]buta-1,3-dien-1-amine
SMILESC=CC(=C/N)/C=c1/cccnc1=C
InChIInChI=1S/C11H12N2/c1-3-10(8-12)7-11-5-4-6-13-9(11)2/h3-8H,1-2,12H2/b10-8-,11-7-
InChIKeyOJMPRAWZHIDUIB-ACBQZUGDSA-N
XLogP0.30
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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6,8a-Dihydro-1,6-naphthyridine
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6,7-Dihydro-1,7-naphthyridine
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N-(2H-pyridin-2-id-3-ylmethyl)aniline;tungsten(2+)
CID 59093785
(2E)-3-methylidene-2-prop-2-enylidenepyridine
CID 60116677
(3Z)-3-(methyliminomethyl)hexa-1,3-dien-2-amine
CID 60123978
(3Z)-3-(ethenyliminomethyl)hexa-1,3-dien-2-amine;yttrium
CID 60125184
2H-pyridin-3-ylidenemethanamine
CID 67496117

Frequently Asked Questions

What is the IUPAC name of (1Z)-2-[(Z)-(2-methylidene-3-pyridinylidene)methyl]buta-1,3-dien-1-amine?
The IUPAC name of (1Z)-2-[(Z)-(2-methylidene-3-pyridinylidene)methyl]buta-1,3-dien-1-amine (CID 88962072) is (1Z)-2-[(Z)-(2-methylidene-3-pyridinylidene)methyl]buta-1,3-dien-1-amine.
What is the SMILES notation for (1Z)-2-[(Z)-(2-methylidene-3-pyridinylidene)methyl]buta-1,3-dien-1-amine?
The canonical SMILES for (1Z)-2-[(Z)-(2-methylidene-3-pyridinylidene)methyl]buta-1,3-dien-1-amine is C=CC(=C/N)/C=c1/cccnc1=C.
What is the InChIKey of (1Z)-2-[(Z)-(2-methylidene-3-pyridinylidene)methyl]buta-1,3-dien-1-amine?
The InChIKey is OJMPRAWZHIDUIB-ACBQZUGDSA-N. The full InChI is InChI=1S/C11H12N2/c1-3-10(8-12)7-11-5-4-6-13-9(11)2/h3-8H,1-2,12H2/b10-8-,11-7-.
What are the key properties of (1Z)-2-[(Z)-(2-methylidene-3-pyridinylidene)methyl]buta-1,3-dien-1-amine?
(1Z)-2-[(Z)-(2-methylidene-3-pyridinylidene)methyl]buta-1,3-dien-1-amine has a molecular weight of 172.23 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-[(Z)-(2-methylidene-3-pyridinylidene)methyl]buta-1,3-dien-1-amine is sourced from PubChem (CID 88962072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).