1-cyclopent-3-en-1-yl-3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]urea

C14H25N3O2 — CID 97225657

IUPAC1-cyclopent-3-en-1-yl-3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]urea
SMILESC[C@@H]1CN(CCNC(=O)NC2CC=CC2)C[C@H](C)O1
InChIInChI=1S/C14H25N3O2/c1-11-9-17(10-12(2)19-11)8-7-15-14(18)16-13-5-3-4-6-13/h3-4,11-13H,5-10H2,1-2H3,(H2,15,16,18)/t11-,12+
InChIKeyRNTVSRRMGSIXOD-TXEJJXNPSA-N
MW267.37 g/mol
LogP1.11
Rot. Bonds4

About 1-cyclopent-3-en-1-yl-3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]urea

1-cyclopent-3-en-1-yl-3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]urea (PubChem CID 97225657) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-cyclopent-3-en-1-yl-3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]urea.

Molecular Properties

Compound Name1-cyclopent-3-en-1-yl-3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]urea
PubChem CID97225657
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name1-cyclopent-3-en-1-yl-3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]urea
SMILESC[C@@H]1CN(CCNC(=O)NC2CC=CC2)C[C@H](C)O1
InChIInChI=1S/C14H25N3O2/c1-11-9-17(10-12(2)19-11)8-7-15-14(18)16-13-5-3-4-6-13/h3-4,11-13H,5-10H2,1-2H3,(H2,15,16,18)/t11-,12+
InChIKeyRNTVSRRMGSIXOD-TXEJJXNPSA-N
XLogP1.11
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-(1-methylsulfonylpiperidin-4-yl)urea
CID 55793416
1-[(3R)-1-cyclopentylpyrrolidin-3-yl]-3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]urea
CID 95309399
1-[(3R)-1-cyclopentylpyrrolidin-3-yl]-3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]urea
CID 95309401
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-2-methylpropanamide
CID 75800055
1-(3-chlorophenyl)-3-[2-(2,6-dimethylmorpholin-4-yl)ethyl]urea
CID 42886916
1-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-[2-(pyrimidin-2-ylamino)ethyl]urea
CID 154774201
1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(3-methyl-2-pyridinyl)urea
CID 94054024
1-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(3-ethylphenyl)urea
CID 51944777
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-2-methylpyrazole-3-carboxamide
CID 95127238
1-(cyclopropanecarbonyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidine-4-carboxamide
CID 46446968
3-(cyclohexylcarbamoylamino)-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]propanamide
CID 46417626
(2R)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 94020975

Frequently Asked Questions

What is the IUPAC name of 1-cyclopent-3-en-1-yl-3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]urea?
The IUPAC name of 1-cyclopent-3-en-1-yl-3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]urea (CID 97225657) is 1-cyclopent-3-en-1-yl-3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]urea.
What is the SMILES notation for 1-cyclopent-3-en-1-yl-3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]urea?
The canonical SMILES for 1-cyclopent-3-en-1-yl-3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]urea is C[C@@H]1CN(CCNC(=O)NC2CC=CC2)C[C@H](C)O1.
What is the InChIKey of 1-cyclopent-3-en-1-yl-3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]urea?
The InChIKey is RNTVSRRMGSIXOD-TXEJJXNPSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-11-9-17(10-12(2)19-11)8-7-15-14(18)16-13-5-3-4-6-13/h3-4,11-13H,5-10H2,1-2H3,(H2,15,16,18)/t11-,12+.
What are the key properties of 1-cyclopent-3-en-1-yl-3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]urea?
1-cyclopent-3-en-1-yl-3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]urea has a molecular weight of 267.37 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopent-3-en-1-yl-3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]urea is sourced from PubChem (CID 97225657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).