N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(1H-pyrrol-2-yl)acetamide

C12H19N3O — CID 115272021

IUPACN-[[1-(aminomethyl)cyclobutyl]methyl]-2-(1H-pyrrol-2-yl)acetamide
SMILESNCC1(CNC(=O)Cc2ccc[nH]2)CCC1
InChIInChI=1S/C12H19N3O/c13-8-12(4-2-5-12)9-15-11(16)7-10-3-1-6-14-10/h1,3,6,14H,2,4-5,7-9,13H2,(H,15,16)
InChIKeyNLZLUOKIZJFOAB-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.80
Rot. Bonds5

About N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(1H-pyrrol-2-yl)acetamide

N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(1H-pyrrol-2-yl)acetamide (PubChem CID 115272021) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(1H-pyrrol-2-yl)acetamide.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclobutyl]methyl]-2-(1H-pyrrol-2-yl)acetamide
PubChem CID115272021
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-[[1-(aminomethyl)cyclobutyl]methyl]-2-(1H-pyrrol-2-yl)acetamide
SMILESNCC1(CNC(=O)Cc2ccc[nH]2)CCC1
InChIInChI=1S/C12H19N3O/c13-8-12(4-2-5-12)9-15-11(16)7-10-3-1-6-14-10/h1,3,6,14H,2,4-5,7-9,13H2,(H,15,16)
InChIKeyNLZLUOKIZJFOAB-UHFFFAOYSA-N
XLogP0.80
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(5Z,8Z,11Z,14Z)-N-[(1-methyl-1H-pyrrol-2-yl)methyl]icosa-5,8,11,14-tetraenamide
CID 10157610
2-acetamido-N-benzyl-2-(1H-pyrrol-2-yl)acetamide
CID 14212836
Pyrrole, 2-((N-acetyl-N-ethylamino)methyl)-
CID 119986
4-(Pyridin-2-yl)pyrrolidin-2-one
CID 47002994
2,2,5,5-tetramethyl-N-[3-(1H-pyrrol-2-ylmethylamino)propyl]-1H-pyrrole-3-carboxamide
CID 24845292
3-methyl-1-[(1-methylpyrrol-2-yl)methyl]-N-propylpiperidine-3-carboxamide
CID 46942447
2-cyclobutyl-N-[rel-(3R,4S)-4-isopropyl-1-(2-pyridinylmethyl)-3-pyrrolidinyl]acetamide hydrochloride
CID 72898016
(1S,11R)-2-[(1-methylpyrrol-2-yl)methyl]-2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 110199311
3,3-dimethyl-N-(pyridin-2-ylmethyl)butanamide
CID 669802
1-(1H-Pyrrol-2-yl)propan-2-one
CID 22507249
N-[(6-methylpyridin-3-yl)methyl]cyclobutanecarboxamide
CID 47216127
4,6,7,8-tetrahydro-1H-pyrrolo[2,3-d]azepin-5-one
CID 49788447

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(1H-pyrrol-2-yl)acetamide?
The IUPAC name of N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(1H-pyrrol-2-yl)acetamide (CID 115272021) is N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(1H-pyrrol-2-yl)acetamide.
What is the SMILES notation for N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(1H-pyrrol-2-yl)acetamide?
The canonical SMILES for N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(1H-pyrrol-2-yl)acetamide is NCC1(CNC(=O)Cc2ccc[nH]2)CCC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(1H-pyrrol-2-yl)acetamide?
The InChIKey is NLZLUOKIZJFOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c13-8-12(4-2-5-12)9-15-11(16)7-10-3-1-6-14-10/h1,3,6,14H,2,4-5,7-9,13H2,(H,15,16).
What are the key properties of N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(1H-pyrrol-2-yl)acetamide?
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(1H-pyrrol-2-yl)acetamide has a molecular weight of 221.30 g/mol, XLogP of 0.80, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(1H-pyrrol-2-yl)acetamide is sourced from PubChem (CID 115272021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).