(4-prop-2-ynylmorpholin-2-yl)methanol

C8H13NO2 — CID 79833462

IUPAC(4-prop-2-ynylmorpholin-2-yl)methanol
SMILESC#CCN1CCOC(CO)C1
InChIInChI=1S/C8H13NO2/c1-2-3-9-4-5-11-8(6-9)7-10/h1,8,10H,3-7H2
InChIKeyWAEQUYLFDWOAGB-UHFFFAOYSA-N
MW155.20 g/mol
LogP-0.69
Rot. Bonds2

About (4-prop-2-ynylmorpholin-2-yl)methanol

(4-prop-2-ynylmorpholin-2-yl)methanol (PubChem CID 79833462) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (4-prop-2-ynylmorpholin-2-yl)methanol.

Molecular Properties

Compound Name(4-prop-2-ynylmorpholin-2-yl)methanol
PubChem CID79833462
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(4-prop-2-ynylmorpholin-2-yl)methanol
SMILESC#CCN1CCOC(CO)C1
InChIInChI=1S/C8H13NO2/c1-2-3-9-4-5-11-8(6-9)7-10/h1,8,10H,3-7H2
InChIKeyWAEQUYLFDWOAGB-UHFFFAOYSA-N
XLogP-0.69
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-pent-4-ynylmorpholin-2-yl)methanol
CID 115873222
N,N-dimethyl-2-[(2S)-4-prop-2-ynylmorpholin-2-yl]ethanamine
CID 138728331
methyl N-[[(2R)-4-prop-2-ynylmorpholin-2-yl]methyl]carbamate
CID 176596348
trifluoro-[[2-(hydroxymethyl)morpholin-4-yl]methyl]boranuide
CID 79016153
2-[2-(hydroxymethyl)morpholin-4-yl]-1-pyrrolidin-1-ylethanone
CID 79840662
1-(azepan-1-yl)-2-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 79833113
4-prop-2-ynyl-1,4-oxazepan-6-ol
CID 130961392
tert-butyl 2-[2-(hydroxymethyl)morpholin-4-yl]acetate
CID 79833522
tert-butyl 2-[(2R)-2-(hydroxymethyl)morpholin-4-yl]acetate
CID 156853972
[4-[[4-(hydroxymethyl)oxan-4-yl]methyl]morpholin-2-yl]methanol
CID 81214239
[4-[[1-(hydroxymethyl)cyclopentyl]methyl]morpholin-2-yl]methanol
CID 81212944
[(2S)-4-(oxolan-3-ylmethyl)morpholin-2-yl]methanol
CID 130137885

Frequently Asked Questions

What is the IUPAC name of (4-prop-2-ynylmorpholin-2-yl)methanol?
The IUPAC name of (4-prop-2-ynylmorpholin-2-yl)methanol (CID 79833462) is (4-prop-2-ynylmorpholin-2-yl)methanol.
What is the SMILES notation for (4-prop-2-ynylmorpholin-2-yl)methanol?
The canonical SMILES for (4-prop-2-ynylmorpholin-2-yl)methanol is C#CCN1CCOC(CO)C1.
What is the InChIKey of (4-prop-2-ynylmorpholin-2-yl)methanol?
The InChIKey is WAEQUYLFDWOAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-2-3-9-4-5-11-8(6-9)7-10/h1,8,10H,3-7H2.
What are the key properties of (4-prop-2-ynylmorpholin-2-yl)methanol?
(4-prop-2-ynylmorpholin-2-yl)methanol has a molecular weight of 155.20 g/mol, XLogP of -0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-prop-2-ynylmorpholin-2-yl)methanol is sourced from PubChem (CID 79833462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).