hept-2-enamide;dihydrochloride

C7H15Cl2NO — CID 142841404

IUPAChept-2-enamide;dihydrochloride
SMILESCCCCC=CC(N)=O.Cl.Cl
InChIInChI=1S/C7H13NO.2ClH/c1-2-3-4-5-6-7(8)9;;/h5-6H,2-4H2,1H3,(H2,8,9);2*1H
InChIKeyQDZJJEZRLFNDIW-UHFFFAOYSA-N
MW200.11 g/mol
LogP2.06
Rot. Bonds4

About hept-2-enamide;dihydrochloride

hept-2-enamide;dihydrochloride (PubChem CID 142841404) has the molecular formula C7H15Cl2NO and a molecular weight of 200.11 g/mol. Its IUPAC name is hept-2-enamide;dihydrochloride.

Molecular Properties

Compound Namehept-2-enamide;dihydrochloride
PubChem CID142841404
Molecular FormulaC7H15Cl2NO
Molecular Weight200.11 g/mol
Exact Mass199.05
IUPAC Namehept-2-enamide;dihydrochloride
SMILESCCCCC=CC(N)=O.Cl.Cl
InChIInChI=1S/C7H13NO.2ClH/c1-2-3-4-5-6-7(8)9;;/h5-6H,2-4H2,1H3,(H2,8,9);2*1H
InChIKeyQDZJJEZRLFNDIW-UHFFFAOYSA-N
XLogP2.06
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.11
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-non-2-enamide
CID 97047009
docosa-2,13-dienamide
CID 91597038
(E)-hex-2-enamide;hydrochloride
CID 141291310
trideca-2,6-dienamide
CID 163862607
(2E,8Z)-undeca-2,8-dienamide
CID 87669666
2-methylideneoct-3-enamide
CID 123552739
(2E,4Z)-deca-2,4-dienamide
CID 87184515
7-(dipropylamino)hept-2-enamide
CID 173402541
hept-2-enoyl fluoride
CID 162347019
icosa-2,4-dienamide
CID 123364114
(2Z)-nona-2,6-dienamide
CID 87394391
octa-2,7-dienamide
CID 166513974

Frequently Asked Questions

What is the IUPAC name of hept-2-enamide;dihydrochloride?
The IUPAC name of hept-2-enamide;dihydrochloride (CID 142841404) is hept-2-enamide;dihydrochloride.
What is the SMILES notation for hept-2-enamide;dihydrochloride?
The canonical SMILES for hept-2-enamide;dihydrochloride is CCCCC=CC(N)=O.Cl.Cl.
What is the InChIKey of hept-2-enamide;dihydrochloride?
The InChIKey is QDZJJEZRLFNDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.2ClH/c1-2-3-4-5-6-7(8)9;;/h5-6H,2-4H2,1H3,(H2,8,9);2*1H.
What are the key properties of hept-2-enamide;dihydrochloride?
hept-2-enamide;dihydrochloride has a molecular weight of 200.11 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hept-2-enamide;dihydrochloride is sourced from PubChem (CID 142841404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).