1-(methylamino)hept-6-en-3-one

C8H15NO — CID 116561070

IUPAC1-(methylamino)hept-6-en-3-one
SMILESC=CCCC(=O)CCNC
InChIInChI=1S/C8H15NO/c1-3-4-5-8(10)6-7-9-2/h3,9H,1,4-7H2,2H3
InChIKeyOVNFEZVJBBVCCQ-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.13
Rot. Bonds6

About 1-(methylamino)hept-6-en-3-one

1-(methylamino)hept-6-en-3-one (PubChem CID 116561070) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 1-(methylamino)hept-6-en-3-one.

Molecular Properties

Compound Name1-(methylamino)hept-6-en-3-one
PubChem CID116561070
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name1-(methylamino)hept-6-en-3-one
SMILESC=CCCC(=O)CCNC
InChIInChI=1S/C8H15NO/c1-3-4-5-8(10)6-7-9-2/h3,9H,1,4-7H2,2H3
InChIKeyOVNFEZVJBBVCCQ-UHFFFAOYSA-N
XLogP1.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(methylamino)dec-9-en-3-one
CID 107010832
1-hydroxyhept-6-en-3-one
CID 152521380
tetradec-1-en-5-one
CID 11195184
1-(propan-2-ylamino)hex-5-en-2-one
CID 116554839
1-methoxyoct-7-ene-2,4-dione
CID 14987394
3-oxohept-6-eneperoxoic acid
CID 22070798
aluminum tris(3-oxohept-6-enoate)
CID 173427604
1-(methylamino)nonan-3-one
CID 116561157
tert-butyl N-(2-oxohex-5-enyl)carbamate
CID 178201050
dec-1-en-9-yn-5-one
CID 14265374
1-(methylamino)oct-7-yn-3-one
CID 116561124
non-8-en-4-one
CID 11137251

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)hept-6-en-3-one?
The IUPAC name of 1-(methylamino)hept-6-en-3-one (CID 116561070) is 1-(methylamino)hept-6-en-3-one.
What is the SMILES notation for 1-(methylamino)hept-6-en-3-one?
The canonical SMILES for 1-(methylamino)hept-6-en-3-one is C=CCCC(=O)CCNC.
What is the InChIKey of 1-(methylamino)hept-6-en-3-one?
The InChIKey is OVNFEZVJBBVCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-3-4-5-8(10)6-7-9-2/h3,9H,1,4-7H2,2H3.
What are the key properties of 1-(methylamino)hept-6-en-3-one?
1-(methylamino)hept-6-en-3-one has a molecular weight of 141.21 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)hept-6-en-3-one is sourced from PubChem (CID 116561070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).