(5-benzyl-3,3a,4,6-tetrahydro-2H-furo[2,3-c]pyrrol-6a-yl)methylurea

C15H21N3O2 — CID 15380949

IUPAC(5-benzyl-3,3a,4,6-tetrahydro-2H-furo[2,3-c]pyrrol-6a-yl)methylurea
SMILESNC(=O)NCC12CN(Cc3ccccc3)CC1CCO2
InChIInChI=1S/C15H21N3O2/c16-14(19)17-10-15-11-18(9-13(15)6-7-20-15)8-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H3,16,17,19)
InChIKeyOSHSGDUGMGKGRP-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.95
Rot. Bonds4

About (5-benzyl-3,3a,4,6-tetrahydro-2H-furo[2,3-c]pyrrol-6a-yl)methylurea

(5-benzyl-3,3a,4,6-tetrahydro-2H-furo[2,3-c]pyrrol-6a-yl)methylurea (PubChem CID 15380949) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is (5-benzyl-3,3a,4,6-tetrahydro-2H-furo[2,3-c]pyrrol-6a-yl)methylurea.

Molecular Properties

Compound Name(5-benzyl-3,3a,4,6-tetrahydro-2H-furo[2,3-c]pyrrol-6a-yl)methylurea
PubChem CID15380949
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name(5-benzyl-3,3a,4,6-tetrahydro-2H-furo[2,3-c]pyrrol-6a-yl)methylurea
SMILESNC(=O)NCC12CN(Cc3ccccc3)CC1CCO2
InChIInChI=1S/C15H21N3O2/c16-14(19)17-10-15-11-18(9-13(15)6-7-20-15)8-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H3,16,17,19)
InChIKeyOSHSGDUGMGKGRP-UHFFFAOYSA-N
XLogP0.95
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (5-benzyl-3,3a,4,6-tetrahydro-2H-furo[2,3-c]pyrrol-6a-yl)methylurea with MolForge

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Related Compounds

N-[(1R,5S)-3-benzyl-8-methyl-3-azabicyclo[3.2.1]octan-8-yl]acetamide
CID 70655630
tert-butyl N-[[(1S,5S)-3-benzyl-3-azabicyclo[3.2.0]heptan-1-yl]methyl]carbamate
CID 129391344
(1-benzylpyrrolidin-3-yl)methylurea
CID 119030980
(3-benzyl-3-azabicyclo[3.2.0]heptan-1-yl)carbamic acid
CID 126511178
(1R,5R)-3-benzyl-3-azabicyclo[3.1.0]hexane-1-carboxylic acid;hydrochloride
CID 155822282
[(1R,5R)-3-benzyl-3-azabicyclo[3.2.0]heptan-1-yl]methanamine
CID 129498513
(3-benzyl-3-azabicyclo[3.2.0]heptan-1-yl)methanamine
CID 121205300
methyl (1R,5S)-3-benzyl-3-azabicyclo[3.2.0]heptane-1-carboxylate
CID 129499579
(1S,5S)-9-amino-3-benzyl-3-azabicyclo[3.3.1]nonane-9-carboxylic acid
CID 98110083
methyl (3S,4S)-1-benzyl-3,4-dimethylpyrrolidine-3-carboxylate
CID 135055291
(3R,4R)-1-benzyl-3-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 124633983
3-benzyl-8-methyl-3-azabicyclo[3.2.1]octan-8-amine
CID 70655281

Frequently Asked Questions

What is the IUPAC name of (5-benzyl-3,3a,4,6-tetrahydro-2H-furo[2,3-c]pyrrol-6a-yl)methylurea?
The IUPAC name of (5-benzyl-3,3a,4,6-tetrahydro-2H-furo[2,3-c]pyrrol-6a-yl)methylurea (CID 15380949) is (5-benzyl-3,3a,4,6-tetrahydro-2H-furo[2,3-c]pyrrol-6a-yl)methylurea.
What is the SMILES notation for (5-benzyl-3,3a,4,6-tetrahydro-2H-furo[2,3-c]pyrrol-6a-yl)methylurea?
The canonical SMILES for (5-benzyl-3,3a,4,6-tetrahydro-2H-furo[2,3-c]pyrrol-6a-yl)methylurea is NC(=O)NCC12CN(Cc3ccccc3)CC1CCO2.
What is the InChIKey of (5-benzyl-3,3a,4,6-tetrahydro-2H-furo[2,3-c]pyrrol-6a-yl)methylurea?
The InChIKey is OSHSGDUGMGKGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c16-14(19)17-10-15-11-18(9-13(15)6-7-20-15)8-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H3,16,17,19).
What are the key properties of (5-benzyl-3,3a,4,6-tetrahydro-2H-furo[2,3-c]pyrrol-6a-yl)methylurea?
(5-benzyl-3,3a,4,6-tetrahydro-2H-furo[2,3-c]pyrrol-6a-yl)methylurea has a molecular weight of 275.35 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-benzyl-3,3a,4,6-tetrahydro-2H-furo[2,3-c]pyrrol-6a-yl)methylurea is sourced from PubChem (CID 15380949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).