1-[1-(dimethylamino)cycloheptyl]pent-4-en-1-one

C14H25NO — CID 79074639

IUPAC1-[1-(dimethylamino)cycloheptyl]pent-4-en-1-one
SMILESC=CCCC(=O)C1(N(C)C)CCCCCC1
InChIInChI=1S/C14H25NO/c1-4-5-10-13(16)14(15(2)3)11-8-6-7-9-12-14/h4H,1,5-12H2,2-3H3
InChIKeyUYMWMIAISGXUMJ-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.18
Rot. Bonds5

About 1-[1-(dimethylamino)cycloheptyl]pent-4-en-1-one

1-[1-(dimethylamino)cycloheptyl]pent-4-en-1-one (PubChem CID 79074639) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-[1-(dimethylamino)cycloheptyl]pent-4-en-1-one.

Molecular Properties

Compound Name1-[1-(dimethylamino)cycloheptyl]pent-4-en-1-one
PubChem CID79074639
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name1-[1-(dimethylamino)cycloheptyl]pent-4-en-1-one
SMILESC=CCCC(=O)C1(N(C)C)CCCCCC1
InChIInChI=1S/C14H25NO/c1-4-5-10-13(16)14(15(2)3)11-8-6-7-9-12-14/h4H,1,5-12H2,2-3H3
InChIKeyUYMWMIAISGXUMJ-UHFFFAOYSA-N
XLogP3.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1-hydroxycycloheptyl)pent-4-en-1-one
CID 103450362
1-[1-(dimethylamino)cycloheptyl]-4,4-dimethylpentan-1-one
CID 79074042
1-[1-(dimethylamino)cyclopentyl]-3-methylidenepentan-1-one
CID 79067295
1-[1-(dimethylamino)cycloheptyl]-3-thiophen-2-ylpropan-1-one
CID 79074938
1-(1-hydroxycycloheptyl)hex-5-en-1-one
CID 103450126
1-[1-(dimethylamino)-4-methylcyclohexyl]but-3-en-1-one
CID 79066766
1-[1-(dimethylamino)cycloheptyl]-3-methylpentan-1-one
CID 79074849
1-(4-methoxyoxan-4-yl)pent-4-en-1-one
CID 116748516
1-(3-methylpyrrolidin-3-yl)pent-4-en-1-one
CID 116569923
1-[1-(dimethylamino)cycloheptyl]-2-(4-methylphenyl)ethanone
CID 79075079
2-(4-bromothiophen-2-yl)-1-[1-(dimethylamino)cycloheptyl]ethanone
CID 79074487
N,N-dimethylpent-4-enamide
CID 13308678

Frequently Asked Questions

What is the IUPAC name of 1-[1-(dimethylamino)cycloheptyl]pent-4-en-1-one?
The IUPAC name of 1-[1-(dimethylamino)cycloheptyl]pent-4-en-1-one (CID 79074639) is 1-[1-(dimethylamino)cycloheptyl]pent-4-en-1-one.
What is the SMILES notation for 1-[1-(dimethylamino)cycloheptyl]pent-4-en-1-one?
The canonical SMILES for 1-[1-(dimethylamino)cycloheptyl]pent-4-en-1-one is C=CCCC(=O)C1(N(C)C)CCCCCC1.
What is the InChIKey of 1-[1-(dimethylamino)cycloheptyl]pent-4-en-1-one?
The InChIKey is UYMWMIAISGXUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-4-5-10-13(16)14(15(2)3)11-8-6-7-9-12-14/h4H,1,5-12H2,2-3H3.
What are the key properties of 1-[1-(dimethylamino)cycloheptyl]pent-4-en-1-one?
1-[1-(dimethylamino)cycloheptyl]pent-4-en-1-one has a molecular weight of 223.36 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylamino)cycloheptyl]pent-4-en-1-one is sourced from PubChem (CID 79074639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).