(5Z,7Z)-7-[3-(methylamino)cyclobutyl]oxy-5-[(Z)-prop-1-enyl]deca-5,7-dien-2-one

C18H29NO2 — CID 142597114

IUPAC(5Z,7Z)-7-[3-(methylamino)cyclobutyl]oxy-5-[(Z)-prop-1-enyl]deca-5,7-dien-2-one
SMILESC/C=C\C(=C/C(=C/CC)OC1CC(NC)C1)CCC(C)=O
InChIInChI=1S/C18H29NO2/c1-5-7-15(10-9-14(3)20)11-17(8-6-2)21-18-12-16(13-18)19-4/h5,7-8,11,16,18-19H,6,9-10,12-13H2,1-4H3/b7-5-,15-11+,17-8-
InChIKeyJGLOUPNITGGLOR-LTPOYQJOSA-N
MW291.44 g/mol
LogP3.92
Rot. Bonds9

About (5Z,7Z)-7-[3-(methylamino)cyclobutyl]oxy-5-[(Z)-prop-1-enyl]deca-5,7-dien-2-one

(5Z,7Z)-7-[3-(methylamino)cyclobutyl]oxy-5-[(Z)-prop-1-enyl]deca-5,7-dien-2-one (PubChem CID 142597114) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is (5Z,7Z)-7-[3-(methylamino)cyclobutyl]oxy-5-[(Z)-prop-1-enyl]deca-5,7-dien-2-one.

Molecular Properties

Compound Name(5Z,7Z)-7-[3-(methylamino)cyclobutyl]oxy-5-[(Z)-prop-1-enyl]deca-5,7-dien-2-one
PubChem CID142597114
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name(5Z,7Z)-7-[3-(methylamino)cyclobutyl]oxy-5-[(Z)-prop-1-enyl]deca-5,7-dien-2-one
SMILESC/C=C\C(=C/C(=C/CC)OC1CC(NC)C1)CCC(C)=O
InChIInChI=1S/C18H29NO2/c1-5-7-15(10-9-14(3)20)11-17(8-6-2)21-18-12-16(13-18)19-4/h5,7-8,11,16,18-19H,6,9-10,12-13H2,1-4H3/b7-5-,15-11+,17-8-
InChIKeyJGLOUPNITGGLOR-LTPOYQJOSA-N
XLogP3.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (5Z,7Z)-7-[3-(methylamino)cyclobutyl]oxy-5-[(Z)-prop-1-enyl]deca-5,7-dien-2-one with MolForge

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Launch Full Analysis

Related Compounds

ethane;N-propyl-3-(6-propylcyclohepta-1,4,6-trien-1-yl)oxycyclobutan-1-amine
CID 142368142
ethane;(5Z)-7-[3-(methylamino)cyclobutyl]oxy-5-[(Z)-prop-1-enyl]octa-5,7-dien-2-one
CID 153330466
3-(5-ethylcyclohexa-1,5-dien-1-yl)oxy-N-methylcyclobutan-1-amine
CID 155031170
N-tert-butyl-3-[(2E,4Z)-5-ethenylocta-2,4-dien-3-yl]oxycyclobutan-1-amine
CID 166996737
1-[3-[3-(Ethylamino)cyclobutyl]oxy-5-methylcyclohexa-1,3-dien-1-yl]-3-methylbutan-2-one
CID 167241590
N-propyl-3-(6-propylcyclohepta-1,4,6-trien-1-yl)oxycyclobutan-1-amine
CID 142368143
(5Z)-7-[3-(methylamino)cyclobutyl]oxy-5-[(Z)-prop-1-enyl]octa-5,7-dien-2-one
CID 153330467

Frequently Asked Questions

What is the IUPAC name of (5Z,7Z)-7-[3-(methylamino)cyclobutyl]oxy-5-[(Z)-prop-1-enyl]deca-5,7-dien-2-one?
The IUPAC name of (5Z,7Z)-7-[3-(methylamino)cyclobutyl]oxy-5-[(Z)-prop-1-enyl]deca-5,7-dien-2-one (CID 142597114) is (5Z,7Z)-7-[3-(methylamino)cyclobutyl]oxy-5-[(Z)-prop-1-enyl]deca-5,7-dien-2-one.
What is the SMILES notation for (5Z,7Z)-7-[3-(methylamino)cyclobutyl]oxy-5-[(Z)-prop-1-enyl]deca-5,7-dien-2-one?
The canonical SMILES for (5Z,7Z)-7-[3-(methylamino)cyclobutyl]oxy-5-[(Z)-prop-1-enyl]deca-5,7-dien-2-one is C/C=C\C(=C/C(=C/CC)OC1CC(NC)C1)CCC(C)=O.
What is the InChIKey of (5Z,7Z)-7-[3-(methylamino)cyclobutyl]oxy-5-[(Z)-prop-1-enyl]deca-5,7-dien-2-one?
The InChIKey is JGLOUPNITGGLOR-LTPOYQJOSA-N. The full InChI is InChI=1S/C18H29NO2/c1-5-7-15(10-9-14(3)20)11-17(8-6-2)21-18-12-16(13-18)19-4/h5,7-8,11,16,18-19H,6,9-10,12-13H2,1-4H3/b7-5-,15-11+,17-8-.
What are the key properties of (5Z,7Z)-7-[3-(methylamino)cyclobutyl]oxy-5-[(Z)-prop-1-enyl]deca-5,7-dien-2-one?
(5Z,7Z)-7-[3-(methylamino)cyclobutyl]oxy-5-[(Z)-prop-1-enyl]deca-5,7-dien-2-one has a molecular weight of 291.44 g/mol, XLogP of 3.92, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7Z)-7-[3-(methylamino)cyclobutyl]oxy-5-[(Z)-prop-1-enyl]deca-5,7-dien-2-one is sourced from PubChem (CID 142597114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).