4-[(3Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhexa-1,3-dien-2-yl]morpholine

C15H24N2O — CID 134340963

IUPAC4-[(3Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhexa-1,3-dien-2-yl]morpholine
SMILESC=C(/C(=C(\C)CC)N1C=CCC1)N1CCOCC1
InChIInChI=1S/C15H24N2O/c1-4-13(2)15(17-7-5-6-8-17)14(3)16-9-11-18-12-10-16/h5,7H,3-4,6,8-12H2,1-2H3/b15-13-
InChIKeyOEAMACSDRTUBCD-SQFISAMPSA-N
MW248.37 g/mol
LogP2.74
Rot. Bonds4

About 4-[(3Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhexa-1,3-dien-2-yl]morpholine

4-[(3Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhexa-1,3-dien-2-yl]morpholine (PubChem CID 134340963) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-[(3Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhexa-1,3-dien-2-yl]morpholine.

Molecular Properties

Compound Name4-[(3Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhexa-1,3-dien-2-yl]morpholine
PubChem CID134340963
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name4-[(3Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhexa-1,3-dien-2-yl]morpholine
SMILESC=C(/C(=C(\C)CC)N1C=CCC1)N1CCOCC1
InChIInChI=1S/C15H24N2O/c1-4-13(2)15(17-7-5-6-8-17)14(3)16-9-11-18-12-10-16/h5,7H,3-4,6,8-12H2,1-2H3/b15-13-
InChIKeyOEAMACSDRTUBCD-SQFISAMPSA-N
XLogP2.74
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(3Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhexa-1,3-dien-2-yl]morpholine?
The IUPAC name of 4-[(3Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhexa-1,3-dien-2-yl]morpholine (CID 134340963) is 4-[(3Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhexa-1,3-dien-2-yl]morpholine.
What is the SMILES notation for 4-[(3Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhexa-1,3-dien-2-yl]morpholine?
The canonical SMILES for 4-[(3Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhexa-1,3-dien-2-yl]morpholine is C=C(/C(=C(\C)CC)N1C=CCC1)N1CCOCC1.
What is the InChIKey of 4-[(3Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhexa-1,3-dien-2-yl]morpholine?
The InChIKey is OEAMACSDRTUBCD-SQFISAMPSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-13(2)15(17-7-5-6-8-17)14(3)16-9-11-18-12-10-16/h5,7H,3-4,6,8-12H2,1-2H3/b15-13-.
What are the key properties of 4-[(3Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhexa-1,3-dien-2-yl]morpholine?
4-[(3Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhexa-1,3-dien-2-yl]morpholine has a molecular weight of 248.37 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhexa-1,3-dien-2-yl]morpholine is sourced from PubChem (CID 134340963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).