[5-(4-aminobut-1-enyl)thiophen-2-yl]methanol

C9H13NOS — CID 170486431

IUPAC[5-(4-aminobut-1-enyl)thiophen-2-yl]methanol
SMILESNCCC=Cc1ccc(CO)s1
InChIInChI=1S/C9H13NOS/c10-6-2-1-3-8-4-5-9(7-11)12-8/h1,3-5,11H,2,6-7,10H2
InChIKeyQJFQNFAXXKVCGD-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.60
Rot. Bonds4

About [5-(4-aminobut-1-enyl)thiophen-2-yl]methanol

[5-(4-aminobut-1-enyl)thiophen-2-yl]methanol (PubChem CID 170486431) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is [5-(4-aminobut-1-enyl)thiophen-2-yl]methanol.

Molecular Properties

Compound Name[5-(4-aminobut-1-enyl)thiophen-2-yl]methanol
PubChem CID170486431
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name[5-(4-aminobut-1-enyl)thiophen-2-yl]methanol
SMILESNCCC=Cc1ccc(CO)s1
InChIInChI=1S/C9H13NOS/c10-6-2-1-3-8-4-5-9(7-11)12-8/h1,3-5,11H,2,6-7,10H2
InChIKeyQJFQNFAXXKVCGD-UHFFFAOYSA-N
XLogP1.60
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

S-[3-[5-(hydroxymethyl)thiophen-2-yl]prop-2-enyl] ethanethioate
CID 169456617
[2-(4-aminobut-1-enyl)-1,3-thiazol-5-yl]methanol
CID 170486483
2-amino-2-methyl-4-[5-(4-phenylbut-1-enyl)thiophen-2-yl]butan-1-ol
CID 85059232
[5-[(E)-2-(1-benzothiophen-3-yl)ethenyl]thiophen-2-yl]methanol
CID 14696275
2-amino-2-methyl-4-[5-[(E)-6-phenylhex-1-enyl]thiophen-2-yl]butan-1-ol
CID 10132222
(Z)-3-(5-methylthiophen-2-yl)prop-2-en-1-ol
CID 141415959
2-bromo-5-[(E)-4-bromobut-1-enyl]thiophene
CID 82094488
(E)-4-(1H-pyrrol-2-yl)but-3-en-1-amine
CID 83694258
4-(5-chlorothiophen-2-yl)but-3-ene-1-thiol
CID 170477695
[5-(4-aminobut-1-enyl)-3-pyridinyl]methanol
CID 170486715
3-[5-(4-chlorophenyl)thiophen-2-yl]prop-2-en-1-amine
CID 76996796
4-(4-fluorophenyl)but-3-en-1-amine
CID 56986139

Frequently Asked Questions

What is the IUPAC name of [5-(4-aminobut-1-enyl)thiophen-2-yl]methanol?
The IUPAC name of [5-(4-aminobut-1-enyl)thiophen-2-yl]methanol (CID 170486431) is [5-(4-aminobut-1-enyl)thiophen-2-yl]methanol.
What is the SMILES notation for [5-(4-aminobut-1-enyl)thiophen-2-yl]methanol?
The canonical SMILES for [5-(4-aminobut-1-enyl)thiophen-2-yl]methanol is NCCC=Cc1ccc(CO)s1.
What is the InChIKey of [5-(4-aminobut-1-enyl)thiophen-2-yl]methanol?
The InChIKey is QJFQNFAXXKVCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c10-6-2-1-3-8-4-5-9(7-11)12-8/h1,3-5,11H,2,6-7,10H2.
What are the key properties of [5-(4-aminobut-1-enyl)thiophen-2-yl]methanol?
[5-(4-aminobut-1-enyl)thiophen-2-yl]methanol has a molecular weight of 183.28 g/mol, XLogP of 1.60, 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)thiophen-2-yl]methanol is sourced from PubChem (CID 170486431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).