1-cyclohexyl-3-[(3S)-pyrrolidin-3-yl]urea

C11H21N3O — CID 79685110

IUPAC1-cyclohexyl-3-[(3S)-pyrrolidin-3-yl]urea
SMILESO=C(NC1CCCCC1)N[C@H]1CCNC1
InChIInChI=1S/C11H21N3O/c15-11(14-10-6-7-12-8-10)13-9-4-2-1-3-5-9/h9-10,12H,1-8H2,(H2,13,14,15)/t10-/m0/s1
InChIKeyKMABGAVWOCRNNP-JTQLQIEISA-N
MW211.31 g/mol
LogP0.98
Rot. Bonds2

About 1-cyclohexyl-3-[(3S)-pyrrolidin-3-yl]urea

1-cyclohexyl-3-[(3S)-pyrrolidin-3-yl]urea (PubChem CID 79685110) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(3S)-pyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(3S)-pyrrolidin-3-yl]urea
PubChem CID79685110
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name1-cyclohexyl-3-[(3S)-pyrrolidin-3-yl]urea
SMILESO=C(NC1CCCCC1)N[C@H]1CCNC1
InChIInChI=1S/C11H21N3O/c15-11(14-10-6-7-12-8-10)13-9-4-2-1-3-5-9/h9-10,12H,1-8H2,(H2,13,14,15)/t10-/m0/s1
InChIKeyKMABGAVWOCRNNP-JTQLQIEISA-N
XLogP0.98
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 66630468
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CID 62699673
1-cyclobutyl-3-cyclohexylurea
CID 17217147
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CID 117234807
1-cyclohexyl-3-[1-(piperidine-4-carbonyl)piperidin-4-yl]urea
CID 119304273
1-(azepan-3-yl)-3-(oxolan-2-yl)urea
CID 117234826
4-(cyclohexylcarbamoylamino)-N-piperidin-3-ylbutanamide
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N-pyrrolidin-3-ylcyclopentanecarboxamide;hydrochloride
CID 146675555
1-cyclopentyl-3-(5-methylpiperidin-3-yl)urea
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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(3S)-pyrrolidin-3-yl]urea?
The IUPAC name of 1-cyclohexyl-3-[(3S)-pyrrolidin-3-yl]urea (CID 79685110) is 1-cyclohexyl-3-[(3S)-pyrrolidin-3-yl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[(3S)-pyrrolidin-3-yl]urea?
The canonical SMILES for 1-cyclohexyl-3-[(3S)-pyrrolidin-3-yl]urea is O=C(NC1CCCCC1)N[C@H]1CCNC1.
What is the InChIKey of 1-cyclohexyl-3-[(3S)-pyrrolidin-3-yl]urea?
The InChIKey is KMABGAVWOCRNNP-JTQLQIEISA-N. The full InChI is InChI=1S/C11H21N3O/c15-11(14-10-6-7-12-8-10)13-9-4-2-1-3-5-9/h9-10,12H,1-8H2,(H2,13,14,15)/t10-/m0/s1.
What are the key properties of 1-cyclohexyl-3-[(3S)-pyrrolidin-3-yl]urea?
1-cyclohexyl-3-[(3S)-pyrrolidin-3-yl]urea has a molecular weight of 211.31 g/mol, XLogP of 0.98, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(3S)-pyrrolidin-3-yl]urea is sourced from PubChem (CID 79685110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).