(Z)-2,4,4-trimethylhept-5-enamide

C10H19NO — CID 144603473

IUPAC(Z)-2,4,4-trimethylhept-5-enamide
SMILESC/C=C\C(C)(C)CC(C)C(N)=O
InChIInChI=1S/C10H19NO/c1-5-6-10(3,4)7-8(2)9(11)12/h5-6,8H,7H2,1-4H3,(H2,11,12)/b6-5-
InChIKeyBPBVDGAVCBCRBK-WAYWQWQTSA-N
MW169.27 g/mol
LogP2.10
Rot. Bonds4

About (Z)-2,4,4-trimethylhept-5-enamide

(Z)-2,4,4-trimethylhept-5-enamide (PubChem CID 144603473) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (Z)-2,4,4-trimethylhept-5-enamide.

Molecular Properties

Compound Name(Z)-2,4,4-trimethylhept-5-enamide
PubChem CID144603473
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(Z)-2,4,4-trimethylhept-5-enamide
SMILESC/C=C\C(C)(C)CC(C)C(N)=O
InChIInChI=1S/C10H19NO/c1-5-6-10(3,4)7-8(2)9(11)12/h5-6,8H,7H2,1-4H3,(H2,11,12)/b6-5-
InChIKeyBPBVDGAVCBCRBK-WAYWQWQTSA-N
XLogP2.10
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-2,4-dimethylpentanamide
CID 89306477
(E)-2-methylhex-4-enamide
CID 126589197
4,4,6-trimethyloct-2-ene
CID 91386037
(5-amino-2-ethyl-2,4-dimethyl-5-oxopentanoyl)oxymethyl-trimethylazanium
CID 58805543
[2-(carbamoyloxymethyl)-2-methylpent-3-enyl] carbamate
CID 131851796
2-methylnon-7-enamide
CID 142782091
4-imino-2-methylbutanamide
CID 174442854
(2R)-3-ethenylsulfonyl-2-methylpropanamide
CID 6950445
methane;2-methylbutanamide
CID 158835184
2-methylbutanamide;oxaldehyde
CID 90898555
4,4-dimethyl-2-(propan-2-ylamino)pentanamide
CID 62950415
2,5-diamino-4-methyl-5-oxopentanoic acid
CID 19418247

Frequently Asked Questions

What is the IUPAC name of (Z)-2,4,4-trimethylhept-5-enamide?
The IUPAC name of (Z)-2,4,4-trimethylhept-5-enamide (CID 144603473) is (Z)-2,4,4-trimethylhept-5-enamide.
What is the SMILES notation for (Z)-2,4,4-trimethylhept-5-enamide?
The canonical SMILES for (Z)-2,4,4-trimethylhept-5-enamide is C/C=C\C(C)(C)CC(C)C(N)=O.
What is the InChIKey of (Z)-2,4,4-trimethylhept-5-enamide?
The InChIKey is BPBVDGAVCBCRBK-WAYWQWQTSA-N. The full InChI is InChI=1S/C10H19NO/c1-5-6-10(3,4)7-8(2)9(11)12/h5-6,8H,7H2,1-4H3,(H2,11,12)/b6-5-.
What are the key properties of (Z)-2,4,4-trimethylhept-5-enamide?
(Z)-2,4,4-trimethylhept-5-enamide has a molecular weight of 169.27 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,4,4-trimethylhept-5-enamide is sourced from PubChem (CID 144603473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).