[5-(4-aminobut-1-enyl)-3-pyridinyl]methanol

C10H14N2O — CID 170486715

IUPAC[5-(4-aminobut-1-enyl)-3-pyridinyl]methanol
SMILESNCCC=Cc1cncc(CO)c1
InChIInChI=1S/C10H14N2O/c11-4-2-1-3-9-5-10(8-13)7-12-6-9/h1,3,5-7,13H,2,4,8,11H2
InChIKeyIVQYSYQZKBUZSK-UHFFFAOYSA-N
MW178.23 g/mol
LogP0.94
Rot. Bonds4

About [5-(4-aminobut-1-enyl)-3-pyridinyl]methanol

[5-(4-aminobut-1-enyl)-3-pyridinyl]methanol (PubChem CID 170486715) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is [5-(4-aminobut-1-enyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-(4-aminobut-1-enyl)-3-pyridinyl]methanol
PubChem CID170486715
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name[5-(4-aminobut-1-enyl)-3-pyridinyl]methanol
SMILESNCCC=Cc1cncc(CO)c1
InChIInChI=1S/C10H14N2O/c11-4-2-1-3-9-5-10(8-13)7-12-6-9/h1,3,5-7,13H,2,4,8,11H2
InChIKeyIVQYSYQZKBUZSK-UHFFFAOYSA-N
XLogP0.94
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(3-chloroprop-1-enyl)-3-pyridinyl]methanol
CID 169477097
5-(4-aminobut-1-enyl)pyridine-3-carbohydrazide
CID 170487393
tert-butyl N-[4-[5-(hydroxymethyl)-3-pyridinyl]but-3-enyl]carbamate
CID 170490205
N-[3-[5-(hydroxymethyl)-3-pyridinyl]prop-2-enyl]acetamide
CID 169465196
methyl 5-(4-aminobut-1-enyl)pyridine-3-carboxylate
CID 170487339
2-[3-(4-aminobut-1-enyl)phenyl]ethanol
CID 170486870
1-[5-(4-hydroxybut-1-enyl)-3-pyridinyl]ethanone
CID 170476646
5-(4-aminobut-1-enyl)-3-methylpyridine-2-carbonitrile
CID 170486897
[2-(4-aminobut-1-enyl)-1,3-thiazol-5-yl]methanol
CID 170486483
(E)-3-[4-(4-aminobut-1-enyl)phenyl]prop-2-enoic acid
CID 170487446
4-(6-chloro-3-pyridinyl)but-3-en-1-amine
CID 170486456
2-[4-(4-aminobut-1-enyl)phenyl]acetonitrile
CID 170486977

Frequently Asked Questions

What is the IUPAC name of [5-(4-aminobut-1-enyl)-3-pyridinyl]methanol?
The IUPAC name of [5-(4-aminobut-1-enyl)-3-pyridinyl]methanol (CID 170486715) is [5-(4-aminobut-1-enyl)-3-pyridinyl]methanol.
What is the SMILES notation for [5-(4-aminobut-1-enyl)-3-pyridinyl]methanol?
The canonical SMILES for [5-(4-aminobut-1-enyl)-3-pyridinyl]methanol is NCCC=Cc1cncc(CO)c1.
What is the InChIKey of [5-(4-aminobut-1-enyl)-3-pyridinyl]methanol?
The InChIKey is IVQYSYQZKBUZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c11-4-2-1-3-9-5-10(8-13)7-12-6-9/h1,3,5-7,13H,2,4,8,11H2.
What are the key properties of [5-(4-aminobut-1-enyl)-3-pyridinyl]methanol?
[5-(4-aminobut-1-enyl)-3-pyridinyl]methanol has a molecular weight of 178.23 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-aminobut-1-enyl)-3-pyridinyl]methanol is sourced from PubChem (CID 170486715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).