(2R)-1-[[(E)-3-(furan-2-yl)prop-2-enyl]amino]propan-2-ol

C10H15NO2 — CID 103884288

IUPAC(2R)-1-[[(E)-3-(furan-2-yl)prop-2-enyl]amino]propan-2-ol
SMILESC[C@@H](O)CNC/C=C/c1ccco1
InChIInChI=1S/C10H15NO2/c1-9(12)8-11-6-2-4-10-5-3-7-13-10/h2-5,7,9,11-12H,6,8H2,1H3/b4-2+/t9-/m1/s1
InChIKeyNCHAZPGESPBIMT-HDMKULJXSA-N
MW181.24 g/mol
LogP1.26
Rot. Bonds5

About (2R)-1-[[(E)-3-(furan-2-yl)prop-2-enyl]amino]propan-2-ol

(2R)-1-[[(E)-3-(furan-2-yl)prop-2-enyl]amino]propan-2-ol (PubChem CID 103884288) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is (2R)-1-[[(E)-3-(furan-2-yl)prop-2-enyl]amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[(E)-3-(furan-2-yl)prop-2-enyl]amino]propan-2-ol
PubChem CID103884288
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Name(2R)-1-[[(E)-3-(furan-2-yl)prop-2-enyl]amino]propan-2-ol
SMILESC[C@@H](O)CNC/C=C/c1ccco1
InChIInChI=1S/C10H15NO2/c1-9(12)8-11-6-2-4-10-5-3-7-13-10/h2-5,7,9,11-12H,6,8H2,1H3/b4-2+/t9-/m1/s1
InChIKeyNCHAZPGESPBIMT-HDMKULJXSA-N
XLogP1.26
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[(E)-3-(furan-2-yl)prop-2-enyl]amino]propan-2-ol?
The IUPAC name of (2R)-1-[[(E)-3-(furan-2-yl)prop-2-enyl]amino]propan-2-ol (CID 103884288) is (2R)-1-[[(E)-3-(furan-2-yl)prop-2-enyl]amino]propan-2-ol.
What is the SMILES notation for (2R)-1-[[(E)-3-(furan-2-yl)prop-2-enyl]amino]propan-2-ol?
The canonical SMILES for (2R)-1-[[(E)-3-(furan-2-yl)prop-2-enyl]amino]propan-2-ol is C[C@@H](O)CNC/C=C/c1ccco1.
What is the InChIKey of (2R)-1-[[(E)-3-(furan-2-yl)prop-2-enyl]amino]propan-2-ol?
The InChIKey is NCHAZPGESPBIMT-HDMKULJXSA-N. The full InChI is InChI=1S/C10H15NO2/c1-9(12)8-11-6-2-4-10-5-3-7-13-10/h2-5,7,9,11-12H,6,8H2,1H3/b4-2+/t9-/m1/s1.
What are the key properties of (2R)-1-[[(E)-3-(furan-2-yl)prop-2-enyl]amino]propan-2-ol?
(2R)-1-[[(E)-3-(furan-2-yl)prop-2-enyl]amino]propan-2-ol has a molecular weight of 181.24 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[(E)-3-(furan-2-yl)prop-2-enyl]amino]propan-2-ol is sourced from PubChem (CID 103884288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).