[4-[2-[(cyclopropylamino)methyl]prop-2-enyl]morpholin-3-yl]methanol

C12H22N2O2 — CID 103071367

IUPAC[4-[2-[(cyclopropylamino)methyl]prop-2-enyl]morpholin-3-yl]methanol
SMILESC=C(CNC1CC1)CN1CCOCC1CO
InChIInChI=1S/C12H22N2O2/c1-10(6-13-11-2-3-11)7-14-4-5-16-9-12(14)8-15/h11-13,15H,1-9H2
InChIKeyCEHMJSPOZOFTJZ-UHFFFAOYSA-N
MW226.32 g/mol
LogP-0.01
Rot. Bonds6

About [4-[2-[(cyclopropylamino)methyl]prop-2-enyl]morpholin-3-yl]methanol

[4-[2-[(cyclopropylamino)methyl]prop-2-enyl]morpholin-3-yl]methanol (PubChem CID 103071367) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is [4-[2-[(cyclopropylamino)methyl]prop-2-enyl]morpholin-3-yl]methanol.

Molecular Properties

Compound Name[4-[2-[(cyclopropylamino)methyl]prop-2-enyl]morpholin-3-yl]methanol
PubChem CID103071367
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name[4-[2-[(cyclopropylamino)methyl]prop-2-enyl]morpholin-3-yl]methanol
SMILESC=C(CNC1CC1)CN1CCOCC1CO
InChIInChI=1S/C12H22N2O2/c1-10(6-13-11-2-3-11)7-14-4-5-16-9-12(14)8-15/h11-13,15H,1-9H2
InChIKeyCEHMJSPOZOFTJZ-UHFFFAOYSA-N
XLogP-0.01
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[2-[(cyclopropylamino)methyl]prop-2-enyl]morpholin-3-yl]methanol?
The IUPAC name of [4-[2-[(cyclopropylamino)methyl]prop-2-enyl]morpholin-3-yl]methanol (CID 103071367) is [4-[2-[(cyclopropylamino)methyl]prop-2-enyl]morpholin-3-yl]methanol.
What is the SMILES notation for [4-[2-[(cyclopropylamino)methyl]prop-2-enyl]morpholin-3-yl]methanol?
The canonical SMILES for [4-[2-[(cyclopropylamino)methyl]prop-2-enyl]morpholin-3-yl]methanol is C=C(CNC1CC1)CN1CCOCC1CO.
What is the InChIKey of [4-[2-[(cyclopropylamino)methyl]prop-2-enyl]morpholin-3-yl]methanol?
The InChIKey is CEHMJSPOZOFTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-10(6-13-11-2-3-11)7-14-4-5-16-9-12(14)8-15/h11-13,15H,1-9H2.
What are the key properties of [4-[2-[(cyclopropylamino)methyl]prop-2-enyl]morpholin-3-yl]methanol?
[4-[2-[(cyclopropylamino)methyl]prop-2-enyl]morpholin-3-yl]methanol has a molecular weight of 226.32 g/mol, XLogP of -0.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[(cyclopropylamino)methyl]prop-2-enyl]morpholin-3-yl]methanol is sourced from PubChem (CID 103071367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).