N,N-dimethylmethanamine;(E)-7-oxohept-5-enoic acid

C10H19NO3 — CID 153402833

IUPACN,N-dimethylmethanamine;(E)-7-oxohept-5-enoic acid
SMILESCN(C)C.O=C/C=C/CCCC(=O)O
InChIInChI=1S/C7H10O3.C3H9N/c8-6-4-2-1-3-5-7(9)10;1-4(2)3/h2,4,6H,1,3,5H2,(H,9,10);1-3H3/b4-2+;
InChIKeyDVIJHQMGFVNTCU-VEELZWTKSA-N
MW201.27 g/mol
LogP1.17
Rot. Bonds5

About N,N-dimethylmethanamine;(E)-7-oxohept-5-enoic acid

N,N-dimethylmethanamine;(E)-7-oxohept-5-enoic acid (PubChem CID 153402833) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is N,N-dimethylmethanamine;(E)-7-oxohept-5-enoic acid.

Molecular Properties

Compound NameN,N-dimethylmethanamine;(E)-7-oxohept-5-enoic acid
PubChem CID153402833
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC NameN,N-dimethylmethanamine;(E)-7-oxohept-5-enoic acid
SMILESCN(C)C.O=C/C=C/CCCC(=O)O
InChIInChI=1S/C7H10O3.C3H9N/c8-6-4-2-1-3-5-7(9)10;1-4(2)3/h2,4,6H,1,3,5H2,(H,9,10);1-3H3/b4-2+;
InChIKeyDVIJHQMGFVNTCU-VEELZWTKSA-N
XLogP1.17
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

9-oxonona-5,7-dienoic acid
CID 57345996
(Z)-11-oxoundec-9-enoic acid
CID 58659712
(5E,7E)-nona-5,7-dienoic acid
CID 5312593
(10E,12E,14E,16E,18E)-octacosa-10,12,14,16,18-pentaenedioic acid
CID 12073778
8-oxoocta-4,6-dienoic acid
CID 71446452
(6E,8E,10E)-pentadeca-6,8,10-trienoic acid
CID 101132736
(5E,7Z)-hexadeca-5,7-dienoic acid
CID 87408185
(5E,7E)-docosa-5,7-dienoic acid
CID 118460642
methyl (E)-7-oxohept-5-enoate
CID 10920751
pentadeca-5,7-dienoic acid
CID 123590047
(Z,5Z)-5-heptylidene-17-oxoheptadec-15-enoic acid
CID 87998455
dec-2-enal;octanoic acid;oct-3-en-2-one
CID 161435460

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylmethanamine;(E)-7-oxohept-5-enoic acid?
The IUPAC name of N,N-dimethylmethanamine;(E)-7-oxohept-5-enoic acid (CID 153402833) is N,N-dimethylmethanamine;(E)-7-oxohept-5-enoic acid.
What is the SMILES notation for N,N-dimethylmethanamine;(E)-7-oxohept-5-enoic acid?
The canonical SMILES for N,N-dimethylmethanamine;(E)-7-oxohept-5-enoic acid is CN(C)C.O=C/C=C/CCCC(=O)O.
What is the InChIKey of N,N-dimethylmethanamine;(E)-7-oxohept-5-enoic acid?
The InChIKey is DVIJHQMGFVNTCU-VEELZWTKSA-N. The full InChI is InChI=1S/C7H10O3.C3H9N/c8-6-4-2-1-3-5-7(9)10;1-4(2)3/h2,4,6H,1,3,5H2,(H,9,10);1-3H3/b4-2+;.
What are the key properties of N,N-dimethylmethanamine;(E)-7-oxohept-5-enoic acid?
N,N-dimethylmethanamine;(E)-7-oxohept-5-enoic acid has a molecular weight of 201.27 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylmethanamine;(E)-7-oxohept-5-enoic acid is sourced from PubChem (CID 153402833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).