(Z)-3-pyridin-4-ylbut-2-en-1-amine

C9H12N2 — CID 63970722

IUPAC(Z)-3-pyridin-4-ylbut-2-en-1-amine
SMILESC/C(=C/CN)c1ccncc1
InChIInChI=1S/C9H12N2/c1-8(2-5-10)9-3-6-11-7-4-9/h2-4,6-7H,5,10H2,1H3/b8-2-
InChIKeyASXCHHUCGFADGA-WAPJZHGLSA-N
MW148.21 g/mol
LogP1.44
Rot. Bonds2

About (Z)-3-pyridin-4-ylbut-2-en-1-amine

(Z)-3-pyridin-4-ylbut-2-en-1-amine (PubChem CID 63970722) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is (Z)-3-pyridin-4-ylbut-2-en-1-amine.

Molecular Properties

Compound Name(Z)-3-pyridin-4-ylbut-2-en-1-amine
PubChem CID63970722
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name(Z)-3-pyridin-4-ylbut-2-en-1-amine
SMILESC/C(=C/CN)c1ccncc1
InChIInChI=1S/C9H12N2/c1-8(2-5-10)9-3-6-11-7-4-9/h2-4,6-7H,5,10H2,1H3/b8-2-
InChIKeyASXCHHUCGFADGA-WAPJZHGLSA-N
XLogP1.44
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-pyridin-4-ylprop-1-en-1-ol
CID 136628397
3-[4-(4-bromophenyl)phenyl]but-2-en-1-amine
CID 54185430
3-pyridin-4-ylbut-2-enal
CID 130702758
3-thiophen-3-ylbut-2-en-1-amine
CID 76997053
3-[4-(trifluoromethoxy)phenyl]but-2-en-1-amine
CID 76997280
ethyl (Z)-3-pyridin-4-ylbut-2-enoate
CID 69315754
3-(3-fluorophenyl)but-2-en-1-amine
CID 76996789
3-pyridin-4-ylbut-2-enenitrile
CID 76913842
4-[(Z)-1-phenylprop-1-en-2-yl]pyridine
CID 14770496
methyl 3-pyridin-4-ylbut-2-enoate
CID 134690655
propan-2-one;pyridine-4-carboxamide
CID 174689468
3-[4-(2-chlorophenoxy)phenyl]but-2-en-1-amine
CID 54040736

Frequently Asked Questions

What is the IUPAC name of (Z)-3-pyridin-4-ylbut-2-en-1-amine?
The IUPAC name of (Z)-3-pyridin-4-ylbut-2-en-1-amine (CID 63970722) is (Z)-3-pyridin-4-ylbut-2-en-1-amine.
What is the SMILES notation for (Z)-3-pyridin-4-ylbut-2-en-1-amine?
The canonical SMILES for (Z)-3-pyridin-4-ylbut-2-en-1-amine is C/C(=C/CN)c1ccncc1.
What is the InChIKey of (Z)-3-pyridin-4-ylbut-2-en-1-amine?
The InChIKey is ASXCHHUCGFADGA-WAPJZHGLSA-N. The full InChI is InChI=1S/C9H12N2/c1-8(2-5-10)9-3-6-11-7-4-9/h2-4,6-7H,5,10H2,1H3/b8-2-.
What are the key properties of (Z)-3-pyridin-4-ylbut-2-en-1-amine?
(Z)-3-pyridin-4-ylbut-2-en-1-amine has a molecular weight of 148.21 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-pyridin-4-ylbut-2-en-1-amine is sourced from PubChem (CID 63970722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).