2-(2-hydroxypropoxy)propan-1-ol;N-prop-2-enoylprop-2-enamide

C12H21NO5 — CID 160985965

IUPAC2-(2-hydroxypropoxy)propan-1-ol;N-prop-2-enoylprop-2-enamide
SMILESC=CC(=O)NC(=O)C=C.CC(O)COC(C)CO
InChIInChI=1S/C6H7NO2.C6H14O3/c1-3-5(8)7-6(9)4-2;1-5(8)4-9-6(2)3-7/h3-4H,1-2H2,(H,7,8,9);5-8H,3-4H2,1-2H3
InChIKeyTTZCTLDRWDPRQT-UHFFFAOYSA-N
MW259.30 g/mol
LogP-0.23
Rot. Bonds6

About 2-(2-hydroxypropoxy)propan-1-ol;N-prop-2-enoylprop-2-enamide

2-(2-hydroxypropoxy)propan-1-ol;N-prop-2-enoylprop-2-enamide (PubChem CID 160985965) has the molecular formula C12H21NO5 and a molecular weight of 259.30 g/mol. Its IUPAC name is 2-(2-hydroxypropoxy)propan-1-ol;N-prop-2-enoylprop-2-enamide.

Molecular Properties

Compound Name2-(2-hydroxypropoxy)propan-1-ol;N-prop-2-enoylprop-2-enamide
PubChem CID160985965
Molecular FormulaC12H21NO5
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Name2-(2-hydroxypropoxy)propan-1-ol;N-prop-2-enoylprop-2-enamide
SMILESC=CC(=O)NC(=O)C=C.CC(O)COC(C)CO
InChIInChI=1S/C6H7NO2.C6H14O3/c1-3-5(8)7-6(9)4-2;1-5(8)4-9-6(2)3-7/h3-4H,1-2H2,(H,7,8,9);5-8H,3-4H2,1-2H3
InChIKeyTTZCTLDRWDPRQT-UHFFFAOYSA-N
XLogP-0.23
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propan-1-ol;prop-2-enoic acid
CID 87252519
2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;methyl prop-2-enoate
CID 162118566
2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;bis(prop-2-enamide)
CID 174995631
2-(2-hydroxypropoxy)propan-1-ol;propan-2-one
CID 21325277
2-(2-hydroxypropoxy)propan-1-ol;bis(prop-2-enenitrile)
CID 158101930
2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;bis(prop-1-ene)
CID 88779940
formic acid;2-(2-hydroxypropoxy)propan-1-ol
CID 88614617
2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;methyl prop-2-enoate;phosphoric acid
CID 172679706
ethane-1,2-diol;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;bis(prop-1-ene)
CID 173215774
acetic acid;2-(2-hydroxypropoxy)propan-1-ol;methyl acetate
CID 160726973
2-(2-hydroxypropoxy)propan-1-ol;bis(2-methylprop-2-enoic acid)
CID 57347913
(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2R)-2-hydroxypropoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 135398128

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypropoxy)propan-1-ol;N-prop-2-enoylprop-2-enamide?
The IUPAC name of 2-(2-hydroxypropoxy)propan-1-ol;N-prop-2-enoylprop-2-enamide (CID 160985965) is 2-(2-hydroxypropoxy)propan-1-ol;N-prop-2-enoylprop-2-enamide.
What is the SMILES notation for 2-(2-hydroxypropoxy)propan-1-ol;N-prop-2-enoylprop-2-enamide?
The canonical SMILES for 2-(2-hydroxypropoxy)propan-1-ol;N-prop-2-enoylprop-2-enamide is C=CC(=O)NC(=O)C=C.CC(O)COC(C)CO.
What is the InChIKey of 2-(2-hydroxypropoxy)propan-1-ol;N-prop-2-enoylprop-2-enamide?
The InChIKey is TTZCTLDRWDPRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2.C6H14O3/c1-3-5(8)7-6(9)4-2;1-5(8)4-9-6(2)3-7/h3-4H,1-2H2,(H,7,8,9);5-8H,3-4H2,1-2H3.
What are the key properties of 2-(2-hydroxypropoxy)propan-1-ol;N-prop-2-enoylprop-2-enamide?
2-(2-hydroxypropoxy)propan-1-ol;N-prop-2-enoylprop-2-enamide has a molecular weight of 259.30 g/mol, XLogP of -0.23, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypropoxy)propan-1-ol;N-prop-2-enoylprop-2-enamide is sourced from PubChem (CID 160985965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).