1-cyclopropyl-3-[(3R)-pyrrolidin-3-yl]urea

C8H15N3O — CID 79686058

IUPAC1-cyclopropyl-3-[(3R)-pyrrolidin-3-yl]urea
SMILESO=C(NC1CC1)N[C@@H]1CCNC1
InChIInChI=1S/C8H15N3O/c12-8(10-6-1-2-6)11-7-3-4-9-5-7/h6-7,9H,1-5H2,(H2,10,11,12)/t7-/m1/s1
InChIKeySSEXQHZFHRJYNW-SSDOTTSWSA-N
MW169.23 g/mol
LogP-0.19
Rot. Bonds2

About 1-cyclopropyl-3-[(3R)-pyrrolidin-3-yl]urea

1-cyclopropyl-3-[(3R)-pyrrolidin-3-yl]urea (PubChem CID 79686058) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(3R)-pyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[(3R)-pyrrolidin-3-yl]urea
PubChem CID79686058
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name1-cyclopropyl-3-[(3R)-pyrrolidin-3-yl]urea
SMILESO=C(NC1CC1)N[C@@H]1CCNC1
InChIInChI=1S/C8H15N3O/c12-8(10-6-1-2-6)11-7-3-4-9-5-7/h6-7,9H,1-5H2,(H2,10,11,12)/t7-/m1/s1
InChIKeySSEXQHZFHRJYNW-SSDOTTSWSA-N
XLogP-0.19
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-pyrrolidin-3-yl-3-[(3R)-pyrrolidin-3-yl]urea
CID 66630468
1-cyclobutyl-3-pyrrolidin-3-ylurea
CID 116658204
1-cyclopropyl-3-piperidin-3-ylurea
CID 62699673
1-cyclohexyl-3-[(3S)-pyrrolidin-3-yl]urea
CID 79685110
1-cyclopropyl-3-(3-methylpiperidin-4-yl)urea
CID 79886101
pyrrolidin-3-ylcarbamic acid;hydrochloride
CID 141142005
oxalic acid;pyrrolidin-3-ylcarbamic acid
CID 66616538
1-methyl-3-piperidin-4-ylurea
CID 18759970
N-[(3R)-pyrrolidin-3-yl]piperidine-4-carboxamide
CID 91470745
N-[(3S)-pyrrolidin-3-yl]but-2-enamide
CID 79688217
1-piperidin-4-yl-3-pyrrolidin-2-ylurea
CID 117234807
2,2-dimethyl-N-[(3R)-pyrrolidin-3-yl]propanamide
CID 58468710

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(3R)-pyrrolidin-3-yl]urea?
The IUPAC name of 1-cyclopropyl-3-[(3R)-pyrrolidin-3-yl]urea (CID 79686058) is 1-cyclopropyl-3-[(3R)-pyrrolidin-3-yl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[(3R)-pyrrolidin-3-yl]urea?
The canonical SMILES for 1-cyclopropyl-3-[(3R)-pyrrolidin-3-yl]urea is O=C(NC1CC1)N[C@@H]1CCNC1.
What is the InChIKey of 1-cyclopropyl-3-[(3R)-pyrrolidin-3-yl]urea?
The InChIKey is SSEXQHZFHRJYNW-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H15N3O/c12-8(10-6-1-2-6)11-7-3-4-9-5-7/h6-7,9H,1-5H2,(H2,10,11,12)/t7-/m1/s1.
What are the key properties of 1-cyclopropyl-3-[(3R)-pyrrolidin-3-yl]urea?
1-cyclopropyl-3-[(3R)-pyrrolidin-3-yl]urea has a molecular weight of 169.23 g/mol, XLogP of -0.19, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(3R)-pyrrolidin-3-yl]urea is sourced from PubChem (CID 79686058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).