(E)-3-(1-aminocyclopropyl)-N-methylprop-2-enamide

C7H12N2O — CID 90066336

IUPAC(E)-3-(1-aminocyclopropyl)-N-methylprop-2-enamide
SMILESCNC(=O)/C=C/C1(N)CC1
InChIInChI=1S/C7H12N2O/c1-9-6(10)2-3-7(8)4-5-7/h2-3H,4-5,8H2,1H3,(H,9,10)/b3-2+
InChIKeyHLRPNVKIRHHPBE-NSCUHMNNSA-N
MW140.19 g/mol
LogP-0.22
Rot. Bonds2

About (E)-3-(1-aminocyclopropyl)-N-methylprop-2-enamide

(E)-3-(1-aminocyclopropyl)-N-methylprop-2-enamide (PubChem CID 90066336) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is (E)-3-(1-aminocyclopropyl)-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(1-aminocyclopropyl)-N-methylprop-2-enamide
PubChem CID90066336
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name(E)-3-(1-aminocyclopropyl)-N-methylprop-2-enamide
SMILESCNC(=O)/C=C/C1(N)CC1
InChIInChI=1S/C7H12N2O/c1-9-6(10)2-3-7(8)4-5-7/h2-3H,4-5,8H2,1H3,(H,9,10)/b3-2+
InChIKeyHLRPNVKIRHHPBE-NSCUHMNNSA-N
XLogP-0.22
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(1-aminocyclopropyl)-N-methylprop-2-enamide?
The IUPAC name of (E)-3-(1-aminocyclopropyl)-N-methylprop-2-enamide (CID 90066336) is (E)-3-(1-aminocyclopropyl)-N-methylprop-2-enamide.
What is the SMILES notation for (E)-3-(1-aminocyclopropyl)-N-methylprop-2-enamide?
The canonical SMILES for (E)-3-(1-aminocyclopropyl)-N-methylprop-2-enamide is CNC(=O)/C=C/C1(N)CC1.
What is the InChIKey of (E)-3-(1-aminocyclopropyl)-N-methylprop-2-enamide?
The InChIKey is HLRPNVKIRHHPBE-NSCUHMNNSA-N. The full InChI is InChI=1S/C7H12N2O/c1-9-6(10)2-3-7(8)4-5-7/h2-3H,4-5,8H2,1H3,(H,9,10)/b3-2+.
What are the key properties of (E)-3-(1-aminocyclopropyl)-N-methylprop-2-enamide?
(E)-3-(1-aminocyclopropyl)-N-methylprop-2-enamide has a molecular weight of 140.19 g/mol, XLogP of -0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1-aminocyclopropyl)-N-methylprop-2-enamide is sourced from PubChem (CID 90066336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).