N-(cyclopropylmethyl)-2-methyliminobut-3-enamide

C9H14N2O — CID 134479764

IUPACN-(cyclopropylmethyl)-2-methyliminobut-3-enamide
SMILESC=C/C(=N\C)C(=O)NCC1CC1
InChIInChI=1S/C9H14N2O/c1-3-8(10-2)9(12)11-6-7-4-5-7/h3,7H,1,4-6H2,2H3,(H,11,12)/b10-8+
InChIKeyFCILUZKTBRUQGC-CSKARUKUSA-N
MW166.22 g/mol
LogP0.77
Rot. Bonds4

About N-(cyclopropylmethyl)-2-methyliminobut-3-enamide

N-(cyclopropylmethyl)-2-methyliminobut-3-enamide (PubChem CID 134479764) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-methyliminobut-3-enamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-methyliminobut-3-enamide
PubChem CID134479764
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC NameN-(cyclopropylmethyl)-2-methyliminobut-3-enamide
SMILESC=C/C(=N\C)C(=O)NCC1CC1
InChIInChI=1S/C9H14N2O/c1-3-8(10-2)9(12)11-6-7-4-5-7/h3,7H,1,4-6H2,2H3,(H,11,12)/b10-8+
InChIKeyFCILUZKTBRUQGC-CSKARUKUSA-N
XLogP0.77
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-methyliminobut-3-enamide?
The IUPAC name of N-(cyclopropylmethyl)-2-methyliminobut-3-enamide (CID 134479764) is N-(cyclopropylmethyl)-2-methyliminobut-3-enamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-methyliminobut-3-enamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-methyliminobut-3-enamide is C=C/C(=N\C)C(=O)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-methyliminobut-3-enamide?
The InChIKey is FCILUZKTBRUQGC-CSKARUKUSA-N. The full InChI is InChI=1S/C9H14N2O/c1-3-8(10-2)9(12)11-6-7-4-5-7/h3,7H,1,4-6H2,2H3,(H,11,12)/b10-8+.
What are the key properties of N-(cyclopropylmethyl)-2-methyliminobut-3-enamide?
N-(cyclopropylmethyl)-2-methyliminobut-3-enamide has a molecular weight of 166.22 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-methyliminobut-3-enamide is sourced from PubChem (CID 134479764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).