(1Z)-3-pyridin-3-ylbuta-1,3-dien-1-amine

C9H10N2 — CID 142226114

IUPAC(1Z)-3-pyridin-3-ylbuta-1,3-dien-1-amine
SMILESC=C(/C=C\N)c1cccnc1
InChIInChI=1S/C9H10N2/c1-8(4-5-10)9-3-2-6-11-7-9/h2-7H,1,10H2/b5-4-
InChIKeyJMQUOFXLBJPBNS-PLNGDYQASA-N
MW146.19 g/mol
LogP1.57
Rot. Bonds2

About (1Z)-3-pyridin-3-ylbuta-1,3-dien-1-amine

(1Z)-3-pyridin-3-ylbuta-1,3-dien-1-amine (PubChem CID 142226114) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is (1Z)-3-pyridin-3-ylbuta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z)-3-pyridin-3-ylbuta-1,3-dien-1-amine
PubChem CID142226114
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name(1Z)-3-pyridin-3-ylbuta-1,3-dien-1-amine
SMILESC=C(/C=C\N)c1cccnc1
InChIInChI=1S/C9H10N2/c1-8(4-5-10)9-3-2-6-11-7-9/h2-7H,1,10H2/b5-4-
InChIKeyJMQUOFXLBJPBNS-PLNGDYQASA-N
XLogP1.57
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.57
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

3-[(3E)-4-(trifluoromethyl)hexa-1,3-dien-2-yl]pyridine
CID 143483764
3-[(Z)-but-2-en-2-yl]pyridine
CID 101055092
CID 175154223
CID 175154223
methane;pyridine-3-carboxamide
CID 19390506
benzene;pyridine-3-carboxamide
CID 66766032
potassium;ethene;pyridine-3-carboxamide
CID 174767244
3-[1-(2-methylprop-1-enoxy)ethenyl]pyridine
CID 130370265
(1-pyridin-3-ylethenylamino)thiourea
CID 4661385
(Z)-4-oxo-4-pyridin-3-ylbut-2-enoic acid
CID 167311390
4-oxo-4-pyridin-3-ylbut-2-enoic acid
CID 53427422
3-[(Z)-1-fluoro-2-iodoethenyl]pyridine
CID 163204264
azane;platinum(4+);pyridine-3-carboxamide;dichloride
CID 71548674

Frequently Asked Questions

What is the IUPAC name of (1Z)-3-pyridin-3-ylbuta-1,3-dien-1-amine?
The IUPAC name of (1Z)-3-pyridin-3-ylbuta-1,3-dien-1-amine (CID 142226114) is (1Z)-3-pyridin-3-ylbuta-1,3-dien-1-amine.
What is the SMILES notation for (1Z)-3-pyridin-3-ylbuta-1,3-dien-1-amine?
The canonical SMILES for (1Z)-3-pyridin-3-ylbuta-1,3-dien-1-amine is C=C(/C=C\N)c1cccnc1.
What is the InChIKey of (1Z)-3-pyridin-3-ylbuta-1,3-dien-1-amine?
The InChIKey is JMQUOFXLBJPBNS-PLNGDYQASA-N. The full InChI is InChI=1S/C9H10N2/c1-8(4-5-10)9-3-2-6-11-7-9/h2-7H,1,10H2/b5-4-.
What are the key properties of (1Z)-3-pyridin-3-ylbuta-1,3-dien-1-amine?
(1Z)-3-pyridin-3-ylbuta-1,3-dien-1-amine has a molecular weight of 146.19 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-3-pyridin-3-ylbuta-1,3-dien-1-amine is sourced from PubChem (CID 142226114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).