N-methylprop-2-en-1-amine;prop-2-enamide

C7H14N2O — CID 175303196

IUPACN-methylprop-2-en-1-amine;prop-2-enamide
SMILESC=CC(N)=O.C=CCNC
InChIInChI=1S/C4H9N.C3H5NO/c1-3-4-5-2;1-2-3(4)5/h3,5H,1,4H2,2H3;2H,1H2,(H2,4,5)
InChIKeyHZRWSYOXAJAHSJ-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.05
Rot. Bonds3

About N-methylprop-2-en-1-amine;prop-2-enamide

N-methylprop-2-en-1-amine;prop-2-enamide (PubChem CID 175303196) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is N-methylprop-2-en-1-amine;prop-2-enamide.

Molecular Properties

Compound NameN-methylprop-2-en-1-amine;prop-2-enamide
PubChem CID175303196
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC NameN-methylprop-2-en-1-amine;prop-2-enamide
SMILESC=CC(N)=O.C=CCNC
InChIInChI=1S/C4H9N.C3H5NO/c1-3-4-5-2;1-2-3(4)5/h3,5H,1,4H2,2H3;2H,1H2,(H2,4,5)
InChIKeyHZRWSYOXAJAHSJ-UHFFFAOYSA-N
XLogP0.05
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

iron;N-methylprop-2-en-1-amine
CID 175581190
CID 172708986
CID 172708986
N-methylmethanamine;prop-2-enamide;prop-2-enoic acid;hydrochloride
CID 174906754
methanamine;prop-2-enamide;hydrate
CID 174696935
acetamide;prop-2-enamide
CID 158566181
CID 118976628
CID 118976628
prop-2-enamide;ruthenium
CID 90254548
prop-2-enamide iodide
CID 19796963
ethane-1,2-diamine;bis(prop-2-enamide)
CID 23336954
pentane;prop-2-enamide
CID 139391622
magnesium;prop-2-enamide;dihydroxide
CID 175298952
molecular hydrogen;prop-2-enamide
CID 156651584

Frequently Asked Questions

What is the IUPAC name of N-methylprop-2-en-1-amine;prop-2-enamide?
The IUPAC name of N-methylprop-2-en-1-amine;prop-2-enamide (CID 175303196) is N-methylprop-2-en-1-amine;prop-2-enamide.
What is the SMILES notation for N-methylprop-2-en-1-amine;prop-2-enamide?
The canonical SMILES for N-methylprop-2-en-1-amine;prop-2-enamide is C=CC(N)=O.C=CCNC.
What is the InChIKey of N-methylprop-2-en-1-amine;prop-2-enamide?
The InChIKey is HZRWSYOXAJAHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N.C3H5NO/c1-3-4-5-2;1-2-3(4)5/h3,5H,1,4H2,2H3;2H,1H2,(H2,4,5).
What are the key properties of N-methylprop-2-en-1-amine;prop-2-enamide?
N-methylprop-2-en-1-amine;prop-2-enamide has a molecular weight of 142.20 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylprop-2-en-1-amine;prop-2-enamide is sourced from PubChem (CID 175303196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).