5-cyclopropyl-N-[2-(2-nitrophenyl)ethyl]pyrrolidine-2-carboxamide

C16H21N3O3 — CID 136550915

IUPAC5-cyclopropyl-N-[2-(2-nitrophenyl)ethyl]pyrrolidine-2-carboxamide
SMILESO=C(NCCc1ccccc1[N+](=O)[O-])C1CCC(C2CC2)N1
InChIInChI=1S/C16H21N3O3/c20-16(14-8-7-13(18-14)11-5-6-11)17-10-9-12-3-1-2-4-15(12)19(21)22/h1-4,11,13-14,18H,5-10H2,(H,17,20)
InChIKeyRLCKZFHKEHTBDU-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.78
Rot. Bonds6

About 5-cyclopropyl-N-[2-(2-nitrophenyl)ethyl]pyrrolidine-2-carboxamide

5-cyclopropyl-N-[2-(2-nitrophenyl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 136550915) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 5-cyclopropyl-N-[2-(2-nitrophenyl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[2-(2-nitrophenyl)ethyl]pyrrolidine-2-carboxamide
PubChem CID136550915
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name5-cyclopropyl-N-[2-(2-nitrophenyl)ethyl]pyrrolidine-2-carboxamide
SMILESO=C(NCCc1ccccc1[N+](=O)[O-])C1CCC(C2CC2)N1
InChIInChI=1S/C16H21N3O3/c20-16(14-8-7-13(18-14)11-5-6-11)17-10-9-12-3-1-2-4-15(12)19(21)22/h1-4,11,13-14,18H,5-10H2,(H,17,20)
InChIKeyRLCKZFHKEHTBDU-UHFFFAOYSA-N
XLogP1.78
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-nitrophenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119802906
N-[2-(2-nitrophenyl)ethyl]acetamide;hydrochloride
CID 119093580
1-(1-cyclopropylethyl)-1-methyl-3-[2-(2-nitrophenyl)ethyl]urea
CID 71867771
N-[(2-nitrophenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119280308
(2S)-2-amino-N-[2-(2-nitrophenyl)ethyl]propanamide;hydrochloride
CID 119334599
N-(2-thiophen-3-ylethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66470795
4-[2-(2-nitrophenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 63064027
2-[[2-(2-nitrophenyl)ethylamino]methyl]phenol
CID 115656030
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[2-(2-nitrophenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 120934969
N-[2-(2-nitrophenyl)ethyl]cyclooctanamine
CID 63063998
2-(2-methoxyethylamino)-N-[2-(2-nitrophenyl)ethyl]acetamide
CID 119802905
6-methyl-N-[2-(2-methylphenyl)ethyl]piperidine-2-carboxamide
CID 79749385

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[2-(2-nitrophenyl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[2-(2-nitrophenyl)ethyl]pyrrolidine-2-carboxamide (CID 136550915) is 5-cyclopropyl-N-[2-(2-nitrophenyl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[2-(2-nitrophenyl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[2-(2-nitrophenyl)ethyl]pyrrolidine-2-carboxamide is O=C(NCCc1ccccc1[N+](=O)[O-])C1CCC(C2CC2)N1.
What is the InChIKey of 5-cyclopropyl-N-[2-(2-nitrophenyl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is RLCKZFHKEHTBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c20-16(14-8-7-13(18-14)11-5-6-11)17-10-9-12-3-1-2-4-15(12)19(21)22/h1-4,11,13-14,18H,5-10H2,(H,17,20).
What are the key properties of 5-cyclopropyl-N-[2-(2-nitrophenyl)ethyl]pyrrolidine-2-carboxamide?
5-cyclopropyl-N-[2-(2-nitrophenyl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[2-(2-nitrophenyl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 136550915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).