ethane;4-prop-2-ynylmorpholine

C11H23NO — CID 144709407

IUPACethane;4-prop-2-ynylmorpholine
SMILESC#CCN1CCOCC1.CC.CC
InChIInChI=1S/C7H11NO.2C2H6/c1-2-3-8-4-6-9-7-5-8;2*1-2/h1H,3-7H2;2*1-2H3
InChIKeyAZIVMNIEBOAWIC-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.00
Rot. Bonds1

About ethane;4-prop-2-ynylmorpholine

ethane;4-prop-2-ynylmorpholine (PubChem CID 144709407) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is ethane;4-prop-2-ynylmorpholine.

Molecular Properties

Compound Nameethane;4-prop-2-ynylmorpholine
PubChem CID144709407
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Nameethane;4-prop-2-ynylmorpholine
SMILESC#CCN1CCOCC1.CC.CC
InChIInChI=1S/C7H11NO.2C2H6/c1-2-3-8-4-6-9-7-5-8;2*1-2/h1H,3-7H2;2*1-2H3
InChIKeyAZIVMNIEBOAWIC-UHFFFAOYSA-N
XLogP2.00
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,12-bis(prop-2-ynyl)-1,6,9,15-tetraoxa-3,12-diazacyclooctadecane
CID 101268758
1,4,7-tris(prop-2-ynyl)-1,4,7-triazonane
CID 90277190
CID 58998022
CID 58998022
4-prop-2-ynyl-1,4-oxazepan-6-ol
CID 130961392
4-(3-methylsulfanylprop-2-ynyl)morpholine
CID 153360046
N-(oxan-4-ylmethyl)-1-prop-2-ynylpiperidin-4-amine
CID 63727151
ethane;4-propylmorpholine
CID 143004992
16-propyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 71337150
(2R)-6-morpholin-4-ylhex-4-yn-2-ol
CID 7272443
4-(morpholin-4-ylmethyl)morpholine
CID 21839
4-ethyl-1-prop-2-ynylpiperidine
CID 60965394
4-ethylmorpholine;hydron
CID 174383624

Frequently Asked Questions

What is the IUPAC name of ethane;4-prop-2-ynylmorpholine?
The IUPAC name of ethane;4-prop-2-ynylmorpholine (CID 144709407) is ethane;4-prop-2-ynylmorpholine.
What is the SMILES notation for ethane;4-prop-2-ynylmorpholine?
The canonical SMILES for ethane;4-prop-2-ynylmorpholine is C#CCN1CCOCC1.CC.CC.
What is the InChIKey of ethane;4-prop-2-ynylmorpholine?
The InChIKey is AZIVMNIEBOAWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO.2C2H6/c1-2-3-8-4-6-9-7-5-8;2*1-2/h1H,3-7H2;2*1-2H3.
What are the key properties of ethane;4-prop-2-ynylmorpholine?
ethane;4-prop-2-ynylmorpholine has a molecular weight of 185.31 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-prop-2-ynylmorpholine is sourced from PubChem (CID 144709407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).