2-[(3Z)-6-methyl-5-methylidene-4-propan-2-ylhepta-1,3-dien-2-yl]-7-oxa-2-azaspiro[3.5]nonane

C19H31NO — CID 156842978

IUPAC2-[(3Z)-6-methyl-5-methylidene-4-propan-2-ylhepta-1,3-dien-2-yl]-7-oxa-2-azaspiro[3.5]nonane
SMILESC=C(/C(=C\C(=C)N1CC2(CCOCC2)C1)C(C)C)C(C)C
InChIInChI=1S/C19H31NO/c1-14(2)17(6)18(15(3)4)11-16(5)20-12-19(13-20)7-9-21-10-8-19/h11,14-15H,5-10,12-13H2,1-4H3/b18-11-
InChIKeySUUMJULETRWBAX-WQRHYEAKSA-N
MW289.46 g/mol
LogP4.41
Rot. Bonds5

About 2-[(3Z)-6-methyl-5-methylidene-4-propan-2-ylhepta-1,3-dien-2-yl]-7-oxa-2-azaspiro[3.5]nonane

2-[(3Z)-6-methyl-5-methylidene-4-propan-2-ylhepta-1,3-dien-2-yl]-7-oxa-2-azaspiro[3.5]nonane (PubChem CID 156842978) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 2-[(3Z)-6-methyl-5-methylidene-4-propan-2-ylhepta-1,3-dien-2-yl]-7-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-[(3Z)-6-methyl-5-methylidene-4-propan-2-ylhepta-1,3-dien-2-yl]-7-oxa-2-azaspiro[3.5]nonane
PubChem CID156842978
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name2-[(3Z)-6-methyl-5-methylidene-4-propan-2-ylhepta-1,3-dien-2-yl]-7-oxa-2-azaspiro[3.5]nonane
SMILESC=C(/C(=C\C(=C)N1CC2(CCOCC2)C1)C(C)C)C(C)C
InChIInChI=1S/C19H31NO/c1-14(2)17(6)18(15(3)4)11-16(5)20-12-19(13-20)7-9-21-10-8-19/h11,14-15H,5-10,12-13H2,1-4H3/b18-11-
InChIKeySUUMJULETRWBAX-WQRHYEAKSA-N
XLogP4.41
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.41
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 2-[(3Z)-6-methyl-5-methylidene-4-propan-2-ylhepta-1,3-dien-2-yl]-7-oxa-2-azaspiro[3.5]nonane?
The IUPAC name of 2-[(3Z)-6-methyl-5-methylidene-4-propan-2-ylhepta-1,3-dien-2-yl]-7-oxa-2-azaspiro[3.5]nonane (CID 156842978) is 2-[(3Z)-6-methyl-5-methylidene-4-propan-2-ylhepta-1,3-dien-2-yl]-7-oxa-2-azaspiro[3.5]nonane.
What is the SMILES notation for 2-[(3Z)-6-methyl-5-methylidene-4-propan-2-ylhepta-1,3-dien-2-yl]-7-oxa-2-azaspiro[3.5]nonane?
The canonical SMILES for 2-[(3Z)-6-methyl-5-methylidene-4-propan-2-ylhepta-1,3-dien-2-yl]-7-oxa-2-azaspiro[3.5]nonane is C=C(/C(=C\C(=C)N1CC2(CCOCC2)C1)C(C)C)C(C)C.
What is the InChIKey of 2-[(3Z)-6-methyl-5-methylidene-4-propan-2-ylhepta-1,3-dien-2-yl]-7-oxa-2-azaspiro[3.5]nonane?
The InChIKey is SUUMJULETRWBAX-WQRHYEAKSA-N. The full InChI is InChI=1S/C19H31NO/c1-14(2)17(6)18(15(3)4)11-16(5)20-12-19(13-20)7-9-21-10-8-19/h11,14-15H,5-10,12-13H2,1-4H3/b18-11-.
What are the key properties of 2-[(3Z)-6-methyl-5-methylidene-4-propan-2-ylhepta-1,3-dien-2-yl]-7-oxa-2-azaspiro[3.5]nonane?
2-[(3Z)-6-methyl-5-methylidene-4-propan-2-ylhepta-1,3-dien-2-yl]-7-oxa-2-azaspiro[3.5]nonane has a molecular weight of 289.46 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3Z)-6-methyl-5-methylidene-4-propan-2-ylhepta-1,3-dien-2-yl]-7-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 156842978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).