N-methoxy-2,3-dimethylhept-2-enamide

C10H19NO2 — CID 174832986

IUPACN-methoxy-2,3-dimethylhept-2-enamide
SMILESCCCCC(C)=C(C)C(=O)NOC
InChIInChI=1S/C10H19NO2/c1-5-6-7-8(2)9(3)10(12)11-13-4/h5-7H2,1-4H3,(H,11,12)
InChIKeyWCCMIKNGQKNEDH-UHFFFAOYSA-N
MW185.27 g/mol
LogP2.19
Rot. Bonds5

About N-methoxy-2,3-dimethylhept-2-enamide

N-methoxy-2,3-dimethylhept-2-enamide (PubChem CID 174832986) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is N-methoxy-2,3-dimethylhept-2-enamide.

Molecular Properties

Compound NameN-methoxy-2,3-dimethylhept-2-enamide
PubChem CID174832986
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC NameN-methoxy-2,3-dimethylhept-2-enamide
SMILESCCCCC(C)=C(C)C(=O)NOC
InChIInChI=1S/C10H19NO2/c1-5-6-7-8(2)9(3)10(12)11-13-4/h5-7H2,1-4H3,(H,11,12)
InChIKeyWCCMIKNGQKNEDH-UHFFFAOYSA-N
XLogP2.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl (E)-2,3-dimethylhept-2-enoate
CID 15174019
methyl 2,3-dimethyltetradec-2-enoate
CID 175495328
butyl 2,3-dimethylhept-2-enoate;λ2-stannane
CID 174819045
azane;methyl 2,3-dimethylhenicos-2-enoate
CID 174823246
3-methoxy-2-methylhept-2-enoic acid
CID 90982966
hydrazine;methyl pentanoate
CID 88709772
(Z)-2,3-dimethyltetradec-2-enoic acid
CID 87282593
2,3-dimethyldec-2-enoic acid
CID 79729162
N-methoxy-2-methylhex-2-enamide
CID 159177287
dimethyl (Z)-2-butyl-3-methylbut-2-enedioate
CID 88510267
methyl 6-amino-2,3-dimethylhex-2-enoate
CID 57195661
carbonic acid;2,3-dimethylhept-2-ene
CID 159232241

Frequently Asked Questions

What is the IUPAC name of N-methoxy-2,3-dimethylhept-2-enamide?
The IUPAC name of N-methoxy-2,3-dimethylhept-2-enamide (CID 174832986) is N-methoxy-2,3-dimethylhept-2-enamide.
What is the SMILES notation for N-methoxy-2,3-dimethylhept-2-enamide?
The canonical SMILES for N-methoxy-2,3-dimethylhept-2-enamide is CCCCC(C)=C(C)C(=O)NOC.
What is the InChIKey of N-methoxy-2,3-dimethylhept-2-enamide?
The InChIKey is WCCMIKNGQKNEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-5-6-7-8(2)9(3)10(12)11-13-4/h5-7H2,1-4H3,(H,11,12).
What are the key properties of N-methoxy-2,3-dimethylhept-2-enamide?
N-methoxy-2,3-dimethylhept-2-enamide has a molecular weight of 185.27 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-2,3-dimethylhept-2-enamide is sourced from PubChem (CID 174832986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).