N-ethyl-2-iminopyrrolidine-1-carboxamide

C7H13N3O — CID 143847890

IUPACN-ethyl-2-iminopyrrolidine-1-carboxamide
SMILES[H]/N=C1\CCCN1C(=O)NCC
InChIInChI=1S/C7H13N3O/c1-2-9-7(11)10-5-3-4-6(10)8/h8H,2-5H2,1H3,(H,9,11)/b8-6+
InChIKeyIQHKHRGUCCKCTM-SOFGYWHQSA-N
MW155.20 g/mol
LogP0.79
Rot. Bonds1

About N-ethyl-2-iminopyrrolidine-1-carboxamide

N-ethyl-2-iminopyrrolidine-1-carboxamide (PubChem CID 143847890) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is N-ethyl-2-iminopyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-iminopyrrolidine-1-carboxamide
PubChem CID143847890
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC NameN-ethyl-2-iminopyrrolidine-1-carboxamide
SMILES[H]/N=C1\CCCN1C(=O)NCC
InChIInChI=1S/C7H13N3O/c1-2-9-7(11)10-5-3-4-6(10)8/h8H,2-5H2,1H3,(H,9,11)/b8-6+
InChIKeyIQHKHRGUCCKCTM-SOFGYWHQSA-N
XLogP0.79
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Carbamoyl-2-imino-pyrrolidin
CID 89022287
N-(3-bromopropyl)-2-iminopyrrolidine-1-carboxamide
CID 89164144
4-Ethyl-5-iminoimidazolidin-2-one
CID 138388729
4-Ethyl-5-imino-1-methylimidazolidin-2-one
CID 148999775
2-hydroxyimino-N-methylpyrrolidine-1-carboxamide
CID 149766182
5-Imino-1,4-dimethylimidazolidin-2-one
CID 166799040
(1E)-1-(1-methylpyrrolidin-2-ylidene)-3-pentylurea
CID 15585200
N-Methyl-N'-(1-methylpyrrolidin-2-ylidene)urea
CID 71430352
N-(2-amino-2-iminoethyl)pyrrolidine-1-carboxamide
CID 79155073
N-(4-amino-4-iminobutan-2-yl)pyrrolidine-1-carboxamide
CID 79155428
N-(4-amino-4-iminobutyl)pyrrolidine-1-carboxamide
CID 79155860
N-(3-amino-3-imino-2-methylpropyl)pyrrolidine-1-carboxamide
CID 79155947

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-iminopyrrolidine-1-carboxamide?
The IUPAC name of N-ethyl-2-iminopyrrolidine-1-carboxamide (CID 143847890) is N-ethyl-2-iminopyrrolidine-1-carboxamide.
What is the SMILES notation for N-ethyl-2-iminopyrrolidine-1-carboxamide?
The canonical SMILES for N-ethyl-2-iminopyrrolidine-1-carboxamide is [H]/N=C1\CCCN1C(=O)NCC.
What is the InChIKey of N-ethyl-2-iminopyrrolidine-1-carboxamide?
The InChIKey is IQHKHRGUCCKCTM-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H13N3O/c1-2-9-7(11)10-5-3-4-6(10)8/h8H,2-5H2,1H3,(H,9,11)/b8-6+.
What are the key properties of N-ethyl-2-iminopyrrolidine-1-carboxamide?
N-ethyl-2-iminopyrrolidine-1-carboxamide has a molecular weight of 155.20 g/mol, XLogP of 0.79, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-iminopyrrolidine-1-carboxamide is sourced from PubChem (CID 143847890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).