(E)-2,2-dimethylpent-3-enamide

C7H13NO — CID 10351711

IUPAC(E)-2,2-dimethylpent-3-enamide
SMILESC/C=C/C(C)(C)C(N)=O
InChIInChI=1S/C7H13NO/c1-4-5-7(2,3)6(8)9/h4-5H,1-3H3,(H2,8,9)/b5-4+
InChIKeySTCQKDIKPYGUTO-SNAWJCMRSA-N
MW127.19 g/mol
LogP1.07
Rot. Bonds2

About (E)-2,2-dimethylpent-3-enamide

(E)-2,2-dimethylpent-3-enamide (PubChem CID 10351711) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (E)-2,2-dimethylpent-3-enamide.

Molecular Properties

Compound Name(E)-2,2-dimethylpent-3-enamide
PubChem CID10351711
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(E)-2,2-dimethylpent-3-enamide
SMILESC/C=C/C(C)(C)C(N)=O
InChIInChI=1S/C7H13NO/c1-4-5-7(2,3)6(8)9/h4-5H,1-3H3,(H2,8,9)/b5-4+
InChIKeySTCQKDIKPYGUTO-SNAWJCMRSA-N
XLogP1.07
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.07
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

(E)-hex-3-enamide
CID 15937545
2,5-Cyclohexadiene-1-carboxamide
CID 24977690
3-Pentenamide, (E)-
CID 53856717
1-Methyl-2,5-cyclohexadiene-1-carboxamide
CID 91614490
(3E)-Pent-3-enamide
CID 9812758
4-Methylpent-3-enamide
CID 10920478
2,2-Dimethylbut-3-enamide
CID 344891
(Z)-hex-3-enamide
CID 10057469
(3E,5E)-2-methylocta-3,5,7-trienamide
CID 17917293
1,3-Dimethylcyclohepta-2,4,6-triene-1-carboxamide
CID 45084020
2,5-Cyclohexadiene-1-carboxamide, 4-methyl-
CID 45084042
Hex-3-enamide
CID 53871760

Frequently Asked Questions

What is the IUPAC name of (E)-2,2-dimethylpent-3-enamide?
The IUPAC name of (E)-2,2-dimethylpent-3-enamide (CID 10351711) is (E)-2,2-dimethylpent-3-enamide.
What is the SMILES notation for (E)-2,2-dimethylpent-3-enamide?
The canonical SMILES for (E)-2,2-dimethylpent-3-enamide is C/C=C/C(C)(C)C(N)=O.
What is the InChIKey of (E)-2,2-dimethylpent-3-enamide?
The InChIKey is STCQKDIKPYGUTO-SNAWJCMRSA-N. The full InChI is InChI=1S/C7H13NO/c1-4-5-7(2,3)6(8)9/h4-5H,1-3H3,(H2,8,9)/b5-4+.
What are the key properties of (E)-2,2-dimethylpent-3-enamide?
(E)-2,2-dimethylpent-3-enamide has a molecular weight of 127.19 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,2-dimethylpent-3-enamide is sourced from PubChem (CID 10351711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).