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

C8H12N2O — CID 134479844

IUPACN-(cyclopropylmethyl)-2-iminobut-3-enamide
SMILES[H]/N=C(\C=C)C(=O)NCC1CC1
InChIInChI=1S/C8H12N2O/c1-2-7(9)8(11)10-5-6-3-4-6/h2,6,9H,1,3-5H2,(H,10,11)/b9-7+
InChIKeyXEWDUGFQPFTXIO-VQHVLOKHSA-N
MW152.20 g/mol
LogP0.72
Rot. Bonds4

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

N-(cyclopropylmethyl)-2-iminobut-3-enamide (PubChem CID 134479844) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-iminobut-3-enamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-iminobut-3-enamide
PubChem CID134479844
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC NameN-(cyclopropylmethyl)-2-iminobut-3-enamide
SMILES[H]/N=C(\C=C)C(=O)NCC1CC1
InChIInChI=1S/C8H12N2O/c1-2-7(9)8(11)10-5-6-3-4-6/h2,6,9H,1,3-5H2,(H,10,11)/b9-7+
InChIKeyXEWDUGFQPFTXIO-VQHVLOKHSA-N
XLogP0.72
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.72
H-Bond Donors ≤ 52
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-iminobut-3-enamide?
The IUPAC name of N-(cyclopropylmethyl)-2-iminobut-3-enamide (CID 134479844) is N-(cyclopropylmethyl)-2-iminobut-3-enamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-iminobut-3-enamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-iminobut-3-enamide is [H]/N=C(\C=C)C(=O)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-iminobut-3-enamide?
The InChIKey is XEWDUGFQPFTXIO-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H12N2O/c1-2-7(9)8(11)10-5-6-3-4-6/h2,6,9H,1,3-5H2,(H,10,11)/b9-7+.
What are the key properties of N-(cyclopropylmethyl)-2-iminobut-3-enamide?
N-(cyclopropylmethyl)-2-iminobut-3-enamide has a molecular weight of 152.20 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-iminobut-3-enamide is sourced from PubChem (CID 134479844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).