N-[2-(1H-pyrrol-3-yl)ethyl]azetidine-3-carboxamide

C10H15N3O — CID 115159020

IUPACN-[2-(1H-pyrrol-3-yl)ethyl]azetidine-3-carboxamide
SMILESO=C(NCCc1cc[nH]c1)C1CNC1
InChIInChI=1S/C10H15N3O/c14-10(9-6-12-7-9)13-4-2-8-1-3-11-5-8/h1,3,5,9,11-12H,2,4,6-7H2,(H,13,14)
InChIKeyBWEXEUKLWMPKKE-UHFFFAOYSA-N
MW193.25 g/mol
LogP-0.11
Rot. Bonds4

About N-[2-(1H-pyrrol-3-yl)ethyl]azetidine-3-carboxamide

N-[2-(1H-pyrrol-3-yl)ethyl]azetidine-3-carboxamide (PubChem CID 115159020) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is N-[2-(1H-pyrrol-3-yl)ethyl]azetidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-pyrrol-3-yl)ethyl]azetidine-3-carboxamide
PubChem CID115159020
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC NameN-[2-(1H-pyrrol-3-yl)ethyl]azetidine-3-carboxamide
SMILESO=C(NCCc1cc[nH]c1)C1CNC1
InChIInChI=1S/C10H15N3O/c14-10(9-6-12-7-9)13-4-2-8-1-3-11-5-8/h1,3,5,9,11-12H,2,4,6-7H2,(H,13,14)
InChIKeyBWEXEUKLWMPKKE-UHFFFAOYSA-N
XLogP-0.11
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(1H-pyrrol-3-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 115165433
N-[2-(1H-pyrrol-3-yl)ethyl]carbamoyl chloride
CID 115194921
1-[2-(1H-pyrrol-3-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 115181937
3-chloro-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide
CID 115162634
N-(1H-pyrrol-3-ylmethyl)cycloheptanecarboxamide
CID 106385859
4-[2-(1H-pyrrol-3-yl)ethylamino]cyclohexane-1-carboxylic acid
CID 115149129
N-[2-(1-methylbenzimidazol-5-yl)ethyl]azetidine-3-carboxamide
CID 115159038
2-piperazin-1-yl-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide
CID 115189236
2-(2-chlorophenyl)-N-[2-(1H-pyrrol-3-yl)ethyl]acetamide
CID 110789402
2-(ethylamino)-N-[2-(1H-pyrrol-3-yl)ethyl]acetamide
CID 115158043
N-[2-(4-hydroxyphenyl)ethyl]piperidine-3-carboxamide
CID 61238567
3-(aminomethyl)-N-[2-(1H-pyrrol-3-yl)ethyl]oxetane-3-carboxamide
CID 115185742

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-pyrrol-3-yl)ethyl]azetidine-3-carboxamide?
The IUPAC name of N-[2-(1H-pyrrol-3-yl)ethyl]azetidine-3-carboxamide (CID 115159020) is N-[2-(1H-pyrrol-3-yl)ethyl]azetidine-3-carboxamide.
What is the SMILES notation for N-[2-(1H-pyrrol-3-yl)ethyl]azetidine-3-carboxamide?
The canonical SMILES for N-[2-(1H-pyrrol-3-yl)ethyl]azetidine-3-carboxamide is O=C(NCCc1cc[nH]c1)C1CNC1.
What is the InChIKey of N-[2-(1H-pyrrol-3-yl)ethyl]azetidine-3-carboxamide?
The InChIKey is BWEXEUKLWMPKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c14-10(9-6-12-7-9)13-4-2-8-1-3-11-5-8/h1,3,5,9,11-12H,2,4,6-7H2,(H,13,14).
What are the key properties of N-[2-(1H-pyrrol-3-yl)ethyl]azetidine-3-carboxamide?
N-[2-(1H-pyrrol-3-yl)ethyl]azetidine-3-carboxamide has a molecular weight of 193.25 g/mol, XLogP of -0.11, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-pyrrol-3-yl)ethyl]azetidine-3-carboxamide is sourced from PubChem (CID 115159020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).