(2S)-N-ethyl-1-nitrosopyrrolidine-2-carboxamide

C7H13N3O2 — CID 175675318

IUPAC(2S)-N-ethyl-1-nitrosopyrrolidine-2-carboxamide
SMILESCCNC(=O)[C@@H]1CCCN1N=O
InChIInChI=1S/C7H13N3O2/c1-2-8-7(11)6-4-3-5-10(6)9-12/h6H,2-5H2,1H3,(H,8,11)/t6-/m0/s1
InChIKeyNEZGWSMDKXJDQJ-LURJTMIESA-N
MW171.20 g/mol
LogP0.27
Rot. Bonds3

About (2S)-N-ethyl-1-nitrosopyrrolidine-2-carboxamide

(2S)-N-ethyl-1-nitrosopyrrolidine-2-carboxamide (PubChem CID 175675318) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is (2S)-N-ethyl-1-nitrosopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-ethyl-1-nitrosopyrrolidine-2-carboxamide
PubChem CID175675318
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC Name(2S)-N-ethyl-1-nitrosopyrrolidine-2-carboxamide
SMILESCCNC(=O)[C@@H]1CCCN1N=O
InChIInChI=1S/C7H13N3O2/c1-2-8-7(11)6-4-3-5-10(6)9-12/h6H,2-5H2,1H3,(H,8,11)/t6-/m0/s1
InChIKeyNEZGWSMDKXJDQJ-LURJTMIESA-N
XLogP0.27
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N,1-diethylpyrrolidine-2-carboxamide;hydrochloride
CID 66936572
1-nitrosopyrrolidine-2-carboxamide
CID 55290027
(2S)-N-ethyl-1-(2-methylprop-2-enoyl)pyrrolidine-2-carboxamide
CID 14282316
N-ethyl-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide
CID 170386383
(2S)-1-[(2S)-2-(2,2-dimethylpropanoylamino)propanoyl]-N-ethylpyrrolidine-2-carboxamide
CID 54069364
S-[3-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-2-methyl-3-oxopropyl] ethanethioate
CID 14282330
1-[2-[bis(ethylamino)methylideneamino]acetyl]-N-methylpyrrolidine-2-carboxamide
CID 111117487
(2S)-N-ethyl-1-[4-(methylcarbamoyl)oxan-4-yl]pyrrolidine-2-carboxamide
CID 75411524
1-acetyl-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide
CID 119504515
(2S)-1-[(2S)-2-benzamidopropanoyl]-N-ethylpyrrolidine-2-carboxamide
CID 54309979
(2S)-N-ethyl-1-[(2S)-2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide
CID 171786443
1-acetyl-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119504514

Frequently Asked Questions

What is the IUPAC name of (2S)-N-ethyl-1-nitrosopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-ethyl-1-nitrosopyrrolidine-2-carboxamide (CID 175675318) is (2S)-N-ethyl-1-nitrosopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-ethyl-1-nitrosopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-ethyl-1-nitrosopyrrolidine-2-carboxamide is CCNC(=O)[C@@H]1CCCN1N=O.
What is the InChIKey of (2S)-N-ethyl-1-nitrosopyrrolidine-2-carboxamide?
The InChIKey is NEZGWSMDKXJDQJ-LURJTMIESA-N. The full InChI is InChI=1S/C7H13N3O2/c1-2-8-7(11)6-4-3-5-10(6)9-12/h6H,2-5H2,1H3,(H,8,11)/t6-/m0/s1.
What are the key properties of (2S)-N-ethyl-1-nitrosopyrrolidine-2-carboxamide?
(2S)-N-ethyl-1-nitrosopyrrolidine-2-carboxamide has a molecular weight of 171.20 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-ethyl-1-nitrosopyrrolidine-2-carboxamide is sourced from PubChem (CID 175675318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).