formic acid;N-(2-methylpropyl)prop-2-enamide

C8H15NO3 — CID 174936612

IUPACformic acid;N-(2-methylpropyl)prop-2-enamide
SMILESC=CC(=O)NCC(C)C.O=CO
InChIInChI=1S/C7H13NO.CH2O2/c1-4-7(9)8-5-6(2)3;2-1-3/h4,6H,1,5H2,2-3H3,(H,8,9);1H,(H,2,3)
InChIKeyVMQQDUWRBXUJLI-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.65
Rot. Bonds3

About formic acid;N-(2-methylpropyl)prop-2-enamide

formic acid;N-(2-methylpropyl)prop-2-enamide (PubChem CID 174936612) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is formic acid;N-(2-methylpropyl)prop-2-enamide.

Molecular Properties

Compound Nameformic acid;N-(2-methylpropyl)prop-2-enamide
PubChem CID174936612
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Nameformic acid;N-(2-methylpropyl)prop-2-enamide
SMILESC=CC(=O)NCC(C)C.O=CO
InChIInChI=1S/C7H13NO.CH2O2/c1-4-7(9)8-5-6(2)3;2-1-3/h4,6H,1,5H2,2-3H3,(H,8,9);1H,(H,2,3)
InChIKeyVMQQDUWRBXUJLI-UHFFFAOYSA-N
XLogP0.65
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminopropyl)prop-2-enamide
CID 19993421
formic acid;N-[(prop-2-enoylamino)methyl]prop-2-enamide
CID 88793107
N-(2,3,3-trimethylbutyl)prop-2-enamide
CID 83142372
N-[2-(dipropylamino)propyl]prop-2-enamide
CID 146592668
N-(2,2-dihydroxyethyl)prop-2-enamide
CID 22929468
N-[2-methoxy-3-(prop-2-enoylamino)propyl]prop-2-enamide
CID 129044196
5-methyl-3-[(prop-2-enoylamino)methyl]hexanoic acid
CID 65494145
N-[2-(2-hydroxypropylamino)ethyl]prop-2-enamide
CID 104593753
sodium 3-methyl-4-(prop-2-enoylamino)butanoate
CID 175047548
N-buta-1,3-dien-2-yl-2-methylpropan-1-amine
CID 139321589
N-[2-hydroxy-2-(prop-2-enoylamino)ethyl]prop-2-enamide
CID 87314754
(E)-3-iodo-N-(2-methylpropyl)but-2-enamide
CID 118384417

Frequently Asked Questions

What is the IUPAC name of formic acid;N-(2-methylpropyl)prop-2-enamide?
The IUPAC name of formic acid;N-(2-methylpropyl)prop-2-enamide (CID 174936612) is formic acid;N-(2-methylpropyl)prop-2-enamide.
What is the SMILES notation for formic acid;N-(2-methylpropyl)prop-2-enamide?
The canonical SMILES for formic acid;N-(2-methylpropyl)prop-2-enamide is C=CC(=O)NCC(C)C.O=CO.
What is the InChIKey of formic acid;N-(2-methylpropyl)prop-2-enamide?
The InChIKey is VMQQDUWRBXUJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.CH2O2/c1-4-7(9)8-5-6(2)3;2-1-3/h4,6H,1,5H2,2-3H3,(H,8,9);1H,(H,2,3).
What are the key properties of formic acid;N-(2-methylpropyl)prop-2-enamide?
formic acid;N-(2-methylpropyl)prop-2-enamide has a molecular weight of 173.21 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;N-(2-methylpropyl)prop-2-enamide is sourced from PubChem (CID 174936612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).