(1-benzylpyrrolidin-3-yl)methylurea

C13H19N3O — CID 119030980

IUPAC(1-benzylpyrrolidin-3-yl)methylurea
SMILESNC(=O)NCC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C13H19N3O/c14-13(17)15-8-12-6-7-16(10-12)9-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H3,14,15,17)
InChIKeyVQPDAQHIEHRYKA-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.18
Rot. Bonds4

About (1-benzylpyrrolidin-3-yl)methylurea

(1-benzylpyrrolidin-3-yl)methylurea (PubChem CID 119030980) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is (1-benzylpyrrolidin-3-yl)methylurea.

Molecular Properties

Compound Name(1-benzylpyrrolidin-3-yl)methylurea
PubChem CID119030980
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name(1-benzylpyrrolidin-3-yl)methylurea
SMILESNC(=O)NCC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C13H19N3O/c14-13(17)15-8-12-6-7-16(10-12)9-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H3,14,15,17)
InChIKeyVQPDAQHIEHRYKA-UHFFFAOYSA-N
XLogP1.18
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]acetamide
CID 96553008
2-amino-N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]acetamide
CID 96553009
2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]acetamide
CID 66565184
N-[(1-benzylpyrrolidin-3-yl)methyl]propanamide
CID 56990100
N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]-2,2,2-trifluoroacetamide
CID 124514796
N-[(1-benzylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 56703727
2-amino-N-[[(3S)-1-benzylpiperidin-3-yl]methyl]acetamide
CID 96553013
N-[(1-benzylpyrrolidin-3-yl)methyl]-2-(furan-2-yl)-2-oxoacetamide
CID 77092347
N-[(1-benzylpiperidin-3-yl)methyl]acetamide
CID 10444612
[1-[[3-(aminomethyl)phenyl]methyl]pyrrolidin-3-yl]methylcarbamic acid
CID 135324861
1-(1-benzylpyrrolidin-3-yl)-N-methylmethanamine
CID 4660832
N-[(1-benzylpyrrolidin-3-yl)methyl]-3-ethylsulfanylpropanamide
CID 118788894

Frequently Asked Questions

What is the IUPAC name of (1-benzylpyrrolidin-3-yl)methylurea?
The IUPAC name of (1-benzylpyrrolidin-3-yl)methylurea (CID 119030980) is (1-benzylpyrrolidin-3-yl)methylurea.
What is the SMILES notation for (1-benzylpyrrolidin-3-yl)methylurea?
The canonical SMILES for (1-benzylpyrrolidin-3-yl)methylurea is NC(=O)NCC1CCN(Cc2ccccc2)C1.
What is the InChIKey of (1-benzylpyrrolidin-3-yl)methylurea?
The InChIKey is VQPDAQHIEHRYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c14-13(17)15-8-12-6-7-16(10-12)9-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H3,14,15,17).
What are the key properties of (1-benzylpyrrolidin-3-yl)methylurea?
(1-benzylpyrrolidin-3-yl)methylurea has a molecular weight of 233.31 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylpyrrolidin-3-yl)methylurea is sourced from PubChem (CID 119030980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).