[1-[[(E)-but-2-enyl]amino]cyclobutyl]methanol

C9H17NO — CID 107899292

IUPAC[1-[[(E)-but-2-enyl]amino]cyclobutyl]methanol
SMILESC/C=C/CNC1(CO)CCC1
InChIInChI=1S/C9H17NO/c1-2-3-7-10-9(8-11)5-4-6-9/h2-3,10-11H,4-8H2,1H3/b3-2+
InChIKeyQZUGJJQXOQUPJO-NSCUHMNNSA-N
MW155.24 g/mol
LogP1.07
Rot. Bonds4

About [1-[[(E)-but-2-enyl]amino]cyclobutyl]methanol

[1-[[(E)-but-2-enyl]amino]cyclobutyl]methanol (PubChem CID 107899292) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is [1-[[(E)-but-2-enyl]amino]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[[(E)-but-2-enyl]amino]cyclobutyl]methanol
PubChem CID107899292
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name[1-[[(E)-but-2-enyl]amino]cyclobutyl]methanol
SMILESC/C=C/CNC1(CO)CCC1
InChIInChI=1S/C9H17NO/c1-2-3-7-10-9(8-11)5-4-6-9/h2-3,10-11H,4-8H2,1H3/b3-2+
InChIKeyQZUGJJQXOQUPJO-NSCUHMNNSA-N
XLogP1.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-[[1-(hydroxymethyl)cyclopentyl]amino]but-2-enoic acid
CID 103249222
1-[[(Z)-but-2-enyl]amino]cyclopropane-1-carboxylic acid
CID 45082142
N-[(E)-but-2-enyl]-1-methylcyclohexan-1-amine
CID 107898901
1-[[[(E)-but-2-enyl]amino]methyl]cyclobutan-1-ol
CID 107899296
[1-(2-methylpropylamino)cyclopentyl]methanol
CID 61054740
[1-[3-(dimethylamino)propylamino]cyclobutyl]methanol
CID 114525313
1-[[1-(hydroxymethyl)cyclobutyl]amino]-2,3-dimethylbutan-2-ol
CID 114493748
[1-(3-methylbutylamino)cyclopentyl]methanol
CID 62523608
[1-(butylamino)cyclohexyl]methanol
CID 62520970
(2S)-1-[[1-(hydroxymethyl)cyclohexyl]amino]propan-2-ol
CID 94468479
[1-(2-methylsulfanylethylamino)cyclohexyl]methanol
CID 115909619
N-[1-(hydroxymethyl)cyclobutyl]nonanamide
CID 115878113

Frequently Asked Questions

What is the IUPAC name of [1-[[(E)-but-2-enyl]amino]cyclobutyl]methanol?
The IUPAC name of [1-[[(E)-but-2-enyl]amino]cyclobutyl]methanol (CID 107899292) is [1-[[(E)-but-2-enyl]amino]cyclobutyl]methanol.
What is the SMILES notation for [1-[[(E)-but-2-enyl]amino]cyclobutyl]methanol?
The canonical SMILES for [1-[[(E)-but-2-enyl]amino]cyclobutyl]methanol is C/C=C/CNC1(CO)CCC1.
What is the InChIKey of [1-[[(E)-but-2-enyl]amino]cyclobutyl]methanol?
The InChIKey is QZUGJJQXOQUPJO-NSCUHMNNSA-N. The full InChI is InChI=1S/C9H17NO/c1-2-3-7-10-9(8-11)5-4-6-9/h2-3,10-11H,4-8H2,1H3/b3-2+.
What are the key properties of [1-[[(E)-but-2-enyl]amino]cyclobutyl]methanol?
[1-[[(E)-but-2-enyl]amino]cyclobutyl]methanol has a molecular weight of 155.24 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(E)-but-2-enyl]amino]cyclobutyl]methanol is sourced from PubChem (CID 107899292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).