(E)-1-(2-hydroxyethylamino)-3-[4-(methylamino)-2,5-dihydrofuran-3-yl]prop-2-en-1-ol

C10H18N2O3 — CID 143857176

IUPAC(E)-1-(2-hydroxyethylamino)-3-[4-(methylamino)-2,5-dihydrofuran-3-yl]prop-2-en-1-ol
SMILESCNC1=C(/C=C/C(O)NCCO)COC1
InChIInChI=1S/C10H18N2O3/c1-11-9-7-15-6-8(9)2-3-10(14)12-4-5-13/h2-3,10-14H,4-7H2,1H3/b3-2+
InChIKeyFLAQENZLABVRAT-NSCUHMNNSA-N
MW214.26 g/mol
LogP-1.05
Rot. Bonds6

About (E)-1-(2-hydroxyethylamino)-3-[4-(methylamino)-2,5-dihydrofuran-3-yl]prop-2-en-1-ol

(E)-1-(2-hydroxyethylamino)-3-[4-(methylamino)-2,5-dihydrofuran-3-yl]prop-2-en-1-ol (PubChem CID 143857176) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is (E)-1-(2-hydroxyethylamino)-3-[4-(methylamino)-2,5-dihydrofuran-3-yl]prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-1-(2-hydroxyethylamino)-3-[4-(methylamino)-2,5-dihydrofuran-3-yl]prop-2-en-1-ol
PubChem CID143857176
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name(E)-1-(2-hydroxyethylamino)-3-[4-(methylamino)-2,5-dihydrofuran-3-yl]prop-2-en-1-ol
SMILESCNC1=C(/C=C/C(O)NCCO)COC1
InChIInChI=1S/C10H18N2O3/c1-11-9-7-15-6-8(9)2-3-10(14)12-4-5-13/h2-3,10-14H,4-7H2,1H3/b3-2+
InChIKeyFLAQENZLABVRAT-NSCUHMNNSA-N
XLogP-1.05
TPSA73.75 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-1.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

formaldehyde;(E)-1-(2-hydroxyethylamino)-3-[4-(methylamino)-2,5-dihydrofuran-3-yl]prop-2-en-1-ol;methanol;(3E,5Z)-4-(trifluoromethyl)octa-3,5-diene
CID 143857174
7-ethyl-5,6-bis[(Z)-prop-1-enyl]-2,3,4,7-tetrahydro-1,4-oxazepin-3-ol
CID 131977865
2-[[(2E,4Z)-6-amino-1-methoxy-4-methylhepta-2,4,6-trien-2-yl]amino]ethanol
CID 138456920
5-(3-Methylbut-2-enoxymethyl)-1,2-dihydropyridin-2-ol
CID 144577777
2-[(4-Amino-4-methoxycyclohexa-1,5-dien-1-yl)amino]ethanol
CID 160038720

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2-hydroxyethylamino)-3-[4-(methylamino)-2,5-dihydrofuran-3-yl]prop-2-en-1-ol?
The IUPAC name of (E)-1-(2-hydroxyethylamino)-3-[4-(methylamino)-2,5-dihydrofuran-3-yl]prop-2-en-1-ol (CID 143857176) is (E)-1-(2-hydroxyethylamino)-3-[4-(methylamino)-2,5-dihydrofuran-3-yl]prop-2-en-1-ol.
What is the SMILES notation for (E)-1-(2-hydroxyethylamino)-3-[4-(methylamino)-2,5-dihydrofuran-3-yl]prop-2-en-1-ol?
The canonical SMILES for (E)-1-(2-hydroxyethylamino)-3-[4-(methylamino)-2,5-dihydrofuran-3-yl]prop-2-en-1-ol is CNC1=C(/C=C/C(O)NCCO)COC1.
What is the InChIKey of (E)-1-(2-hydroxyethylamino)-3-[4-(methylamino)-2,5-dihydrofuran-3-yl]prop-2-en-1-ol?
The InChIKey is FLAQENZLABVRAT-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-11-9-7-15-6-8(9)2-3-10(14)12-4-5-13/h2-3,10-14H,4-7H2,1H3/b3-2+.
What are the key properties of (E)-1-(2-hydroxyethylamino)-3-[4-(methylamino)-2,5-dihydrofuran-3-yl]prop-2-en-1-ol?
(E)-1-(2-hydroxyethylamino)-3-[4-(methylamino)-2,5-dihydrofuran-3-yl]prop-2-en-1-ol has a molecular weight of 214.26 g/mol, XLogP of -1.05, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-hydroxyethylamino)-3-[4-(methylamino)-2,5-dihydrofuran-3-yl]prop-2-en-1-ol is sourced from PubChem (CID 143857176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).