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

C10H17NO2 — CID 115873222

IUPAC(4-pent-4-ynylmorpholin-2-yl)methanol
SMILESC#CCCCN1CCOC(CO)C1
InChIInChI=1S/C10H17NO2/c1-2-3-4-5-11-6-7-13-10(8-11)9-12/h1,10,12H,3-9H2
InChIKeySGJGGJWOHAIKFR-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.09
Rot. Bonds4

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

(4-pent-4-ynylmorpholin-2-yl)methanol (PubChem CID 115873222) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (4-pent-4-ynylmorpholin-2-yl)methanol.

Molecular Properties

Compound Name(4-pent-4-ynylmorpholin-2-yl)methanol
PubChem CID115873222
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(4-pent-4-ynylmorpholin-2-yl)methanol
SMILESC#CCCCN1CCOC(CO)C1
InChIInChI=1S/C10H17NO2/c1-2-3-4-5-11-6-7-13-10(8-11)9-12/h1,10,12H,3-9H2
InChIKeySGJGGJWOHAIKFR-UHFFFAOYSA-N
XLogP0.09
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-prop-2-ynylmorpholin-2-yl)methanol
CID 79833462
methyl 2-(4-pent-4-ynylmorpholin-2-yl)acetate
CID 112548455
2-(4-but-3-ynylmorpholin-2-yl)acetic acid
CID 66434270
[4-(3-azidopropyl)morpholin-2-yl]methanol
CID 81219129
[4-[2-(trifluoromethoxy)ethyl]morpholin-2-yl]methanol
CID 81219382
(2S)-4-but-3-ynyl-2-methylmorpholine
CID 127004547
trifluoro-[[2-(hydroxymethyl)morpholin-4-yl]methyl]boranuide
CID 79016153
2-[2-(hydroxymethyl)morpholin-4-yl]-1-pyrrolidin-1-ylethanone
CID 79840662
methyl 2-[4-(3-cyanopropyl)morpholin-2-yl]acetate
CID 79823047
1-pent-4-ynylpyrrolidine
CID 82363312
1-(azepan-1-yl)-2-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 79833113
2-(chloromethyl)-4-pentylmorpholine
CID 81213679

Frequently Asked Questions

What is the IUPAC name of (4-pent-4-ynylmorpholin-2-yl)methanol?
The IUPAC name of (4-pent-4-ynylmorpholin-2-yl)methanol (CID 115873222) is (4-pent-4-ynylmorpholin-2-yl)methanol.
What is the SMILES notation for (4-pent-4-ynylmorpholin-2-yl)methanol?
The canonical SMILES for (4-pent-4-ynylmorpholin-2-yl)methanol is C#CCCCN1CCOC(CO)C1.
What is the InChIKey of (4-pent-4-ynylmorpholin-2-yl)methanol?
The InChIKey is SGJGGJWOHAIKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-2-3-4-5-11-6-7-13-10(8-11)9-12/h1,10,12H,3-9H2.
What are the key properties of (4-pent-4-ynylmorpholin-2-yl)methanol?
(4-pent-4-ynylmorpholin-2-yl)methanol has a molecular weight of 183.25 g/mol, XLogP of 0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pent-4-ynylmorpholin-2-yl)methanol is sourced from PubChem (CID 115873222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).