3-[[[(E)-3-(furan-2-yl)prop-2-enyl]amino]methyl]oxolan-3-ol

C12H17NO3 — CID 115866155

IUPAC3-[[[(E)-3-(furan-2-yl)prop-2-enyl]amino]methyl]oxolan-3-ol
SMILESOC1(CNC/C=C/c2ccco2)CCOC1
InChIInChI=1S/C12H17NO3/c14-12(5-8-15-10-12)9-13-6-1-3-11-4-2-7-16-11/h1-4,7,13-14H,5-6,8-10H2/b3-1+
InChIKeyFOMMMDXTTLRSTI-HNQUOIGGSA-N
MW223.27 g/mol
LogP1.03
Rot. Bonds5

About 3-[[[(E)-3-(furan-2-yl)prop-2-enyl]amino]methyl]oxolan-3-ol

3-[[[(E)-3-(furan-2-yl)prop-2-enyl]amino]methyl]oxolan-3-ol (PubChem CID 115866155) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 3-[[[(E)-3-(furan-2-yl)prop-2-enyl]amino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[[[(E)-3-(furan-2-yl)prop-2-enyl]amino]methyl]oxolan-3-ol
PubChem CID115866155
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name3-[[[(E)-3-(furan-2-yl)prop-2-enyl]amino]methyl]oxolan-3-ol
SMILESOC1(CNC/C=C/c2ccco2)CCOC1
InChIInChI=1S/C12H17NO3/c14-12(5-8-15-10-12)9-13-6-1-3-11-4-2-7-16-11/h1-4,7,13-14H,5-6,8-10H2/b3-1+
InChIKeyFOMMMDXTTLRSTI-HNQUOIGGSA-N
XLogP1.03
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[1-[[(E)-3-(furan-2-yl)prop-2-enyl]amino]cyclopropyl]methanol
CID 115866152
(E)-N-(cyclobutylmethyl)-3-(furan-2-yl)prop-2-en-1-amine
CID 115865985
3-[(1H-pyrrol-2-ylmethylamino)methyl]oxolan-3-ol
CID 103578728
3-[[[3-(methoxymethyl)phenyl]methylamino]methyl]oxolan-3-ol
CID 103848358
3-[[(3-chlorophenyl)methylamino]methyl]oxolan-3-ol
CID 115765990
N-[(E)-3-(furan-2-yl)prop-2-enyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 115866089
(E)-3-(furan-2-yl)-N-[2-(oxolan-2-yl)ethyl]prop-2-en-1-amine
CID 115865917
butane;(E)-3-(furan-2-yl)-N-methylprop-2-en-1-amine
CID 142079105
5-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]furan-3-carboxylic acid
CID 106099935
3-[[(2-chloro-6-fluorophenyl)methylamino]methyl]oxolan-3-ol
CID 103848486
3-[[(4-methylsulfanylphenyl)methylamino]methyl]oxolan-3-ol
CID 103848331
1-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-3-phenylurea
CID 129397628

Frequently Asked Questions

What is the IUPAC name of 3-[[[(E)-3-(furan-2-yl)prop-2-enyl]amino]methyl]oxolan-3-ol?
The IUPAC name of 3-[[[(E)-3-(furan-2-yl)prop-2-enyl]amino]methyl]oxolan-3-ol (CID 115866155) is 3-[[[(E)-3-(furan-2-yl)prop-2-enyl]amino]methyl]oxolan-3-ol.
What is the SMILES notation for 3-[[[(E)-3-(furan-2-yl)prop-2-enyl]amino]methyl]oxolan-3-ol?
The canonical SMILES for 3-[[[(E)-3-(furan-2-yl)prop-2-enyl]amino]methyl]oxolan-3-ol is OC1(CNC/C=C/c2ccco2)CCOC1.
What is the InChIKey of 3-[[[(E)-3-(furan-2-yl)prop-2-enyl]amino]methyl]oxolan-3-ol?
The InChIKey is FOMMMDXTTLRSTI-HNQUOIGGSA-N. The full InChI is InChI=1S/C12H17NO3/c14-12(5-8-15-10-12)9-13-6-1-3-11-4-2-7-16-11/h1-4,7,13-14H,5-6,8-10H2/b3-1+.
What are the key properties of 3-[[[(E)-3-(furan-2-yl)prop-2-enyl]amino]methyl]oxolan-3-ol?
3-[[[(E)-3-(furan-2-yl)prop-2-enyl]amino]methyl]oxolan-3-ol has a molecular weight of 223.27 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[(E)-3-(furan-2-yl)prop-2-enyl]amino]methyl]oxolan-3-ol is sourced from PubChem (CID 115866155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).