4-(3-methyl-2-methylidenebut-3-enyl)morpholine

C10H17NO — CID 12933365

IUPAC4-(3-methyl-2-methylidenebut-3-enyl)morpholine
SMILESC=C(C)C(=C)CN1CCOCC1
InChIInChI=1S/C10H17NO/c1-9(2)10(3)8-11-4-6-12-7-5-11/h1,3-8H2,2H3
InChIKeyUPVONQPLSSLDCB-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.45
Rot. Bonds3

About 4-(3-methyl-2-methylidenebut-3-enyl)morpholine

4-(3-methyl-2-methylidenebut-3-enyl)morpholine (PubChem CID 12933365) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 4-(3-methyl-2-methylidenebut-3-enyl)morpholine.

Molecular Properties

Compound Name4-(3-methyl-2-methylidenebut-3-enyl)morpholine
PubChem CID12933365
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name4-(3-methyl-2-methylidenebut-3-enyl)morpholine
SMILESC=C(C)C(=C)CN1CCOCC1
InChIInChI=1S/C10H17NO/c1-9(2)10(3)8-11-4-6-12-7-5-11/h1,3-8H2,2H3
InChIKeyUPVONQPLSSLDCB-UHFFFAOYSA-N
XLogP1.45
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(3-methyl-2-methylidenebut-3-enyl)morpholine?
The IUPAC name of 4-(3-methyl-2-methylidenebut-3-enyl)morpholine (CID 12933365) is 4-(3-methyl-2-methylidenebut-3-enyl)morpholine.
What is the SMILES notation for 4-(3-methyl-2-methylidenebut-3-enyl)morpholine?
The canonical SMILES for 4-(3-methyl-2-methylidenebut-3-enyl)morpholine is C=C(C)C(=C)CN1CCOCC1.
What is the InChIKey of 4-(3-methyl-2-methylidenebut-3-enyl)morpholine?
The InChIKey is UPVONQPLSSLDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-9(2)10(3)8-11-4-6-12-7-5-11/h1,3-8H2,2H3.
What are the key properties of 4-(3-methyl-2-methylidenebut-3-enyl)morpholine?
4-(3-methyl-2-methylidenebut-3-enyl)morpholine has a molecular weight of 167.25 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-2-methylidenebut-3-enyl)morpholine is sourced from PubChem (CID 12933365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).