1-(methylamino)dec-9-en-3-one

C11H21NO — CID 107010832

IUPAC1-(methylamino)dec-9-en-3-one
SMILESC=CCCCCCC(=O)CCNC
InChIInChI=1S/C11H21NO/c1-3-4-5-6-7-8-11(13)9-10-12-2/h3,12H,1,4-10H2,2H3
InChIKeyUZGKUYVMTMPRTI-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.30
Rot. Bonds9

About 1-(methylamino)dec-9-en-3-one

1-(methylamino)dec-9-en-3-one (PubChem CID 107010832) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-(methylamino)dec-9-en-3-one.

Molecular Properties

Compound Name1-(methylamino)dec-9-en-3-one
PubChem CID107010832
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-(methylamino)dec-9-en-3-one
SMILESC=CCCCCCC(=O)CCNC
InChIInChI=1S/C11H21NO/c1-3-4-5-6-7-8-11(13)9-10-12-2/h3,12H,1,4-10H2,2H3
InChIKeyUZGKUYVMTMPRTI-UHFFFAOYSA-N
XLogP2.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(methylamino)hept-6-en-3-one
CID 116561070
tricosa-1,22-dien-12-one
CID 86210796
pentacos-1-en-11-one
CID 21420755
hexadec-15-en-5-one
CID 91482743
pentadec-14-en-7-one
CID 11528685
tricos-1-en-11-one
CID 146680996
1-(methylamino)nonan-3-one
CID 116561157
3-oxoundec-10-enoic acid
CID 126707830
pentadec-14-enoyl bromide
CID 155164033
tetradec-1-en-5-one
CID 11195184
12-aminododec-1-en-6-one
CID 116551538
ethyl 3-oxodec-9-enoate
CID 10036105

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)dec-9-en-3-one?
The IUPAC name of 1-(methylamino)dec-9-en-3-one (CID 107010832) is 1-(methylamino)dec-9-en-3-one.
What is the SMILES notation for 1-(methylamino)dec-9-en-3-one?
The canonical SMILES for 1-(methylamino)dec-9-en-3-one is C=CCCCCCC(=O)CCNC.
What is the InChIKey of 1-(methylamino)dec-9-en-3-one?
The InChIKey is UZGKUYVMTMPRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-4-5-6-7-8-11(13)9-10-12-2/h3,12H,1,4-10H2,2H3.
What are the key properties of 1-(methylamino)dec-9-en-3-one?
1-(methylamino)dec-9-en-3-one has a molecular weight of 183.29 g/mol, XLogP of 2.30, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)dec-9-en-3-one is sourced from PubChem (CID 107010832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).