2-methylhept-2-enamide;oxolane

C12H23NO2 — CID 174959679

IUPAC2-methylhept-2-enamide;oxolane
SMILESC1CCOC1.CCCCC=C(C)C(N)=O
InChIInChI=1S/C8H15NO.C4H8O/c1-3-4-5-6-7(2)8(9)10;1-2-4-5-3-1/h6H,3-5H2,1-2H3,(H2,9,10);1-4H2
InChIKeyYPRYHBNWLTZATG-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.40
Rot. Bonds4

About 2-methylhept-2-enamide;oxolane

2-methylhept-2-enamide;oxolane (PubChem CID 174959679) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-methylhept-2-enamide;oxolane.

Molecular Properties

Compound Name2-methylhept-2-enamide;oxolane
PubChem CID174959679
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-methylhept-2-enamide;oxolane
SMILESC1CCOC1.CCCCC=C(C)C(N)=O
InChIInChI=1S/C8H15NO.C4H8O/c1-3-4-5-6-7(2)8(9)10;1-2-4-5-3-1/h6H,3-5H2,1-2H3,(H2,9,10);1-4H2
InChIKeyYPRYHBNWLTZATG-UHFFFAOYSA-N
XLogP2.40
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

2-methylhept-2-enamide;hydrate
CID 172812574
(E)-2-methylhexadec-2-enamide
CID 87240184
2-methylnonacos-2-enamide
CID 141002865
N-ethylethanamine;2-methylhept-2-enamide
CID 139534833
2-methylhex-2-enamide;hydrochloride
CID 141109029
6-amino-2-methylhex-2-enamide
CID 54113800
2-methylhex-2-enamide;propan-1-amine
CID 174435970
11-hydroxy-2-methylundec-2-enamide
CID 141296717
butyl acetate;oxolane;propan-2-one
CID 158259250
(E)-2-methyl-8-propan-2-ylicos-2-enamide
CID 140652881
oxetan-3-ylmethyl (E)-2-methylhept-2-enoate
CID 22186337
N,N-dimethyldodecan-1-amine;2-methylhex-2-enamide
CID 173350322

Frequently Asked Questions

What is the IUPAC name of 2-methylhept-2-enamide;oxolane?
The IUPAC name of 2-methylhept-2-enamide;oxolane (CID 174959679) is 2-methylhept-2-enamide;oxolane.
What is the SMILES notation for 2-methylhept-2-enamide;oxolane?
The canonical SMILES for 2-methylhept-2-enamide;oxolane is C1CCOC1.CCCCC=C(C)C(N)=O.
What is the InChIKey of 2-methylhept-2-enamide;oxolane?
The InChIKey is YPRYHBNWLTZATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.C4H8O/c1-3-4-5-6-7(2)8(9)10;1-2-4-5-3-1/h6H,3-5H2,1-2H3,(H2,9,10);1-4H2.
What are the key properties of 2-methylhept-2-enamide;oxolane?
2-methylhept-2-enamide;oxolane has a molecular weight of 213.32 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylhept-2-enamide;oxolane is sourced from PubChem (CID 174959679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).