1-[(3S)-hex-5-en-3-yl]-3-[(1S)-1-[(2S)-oxolan-2-yl]propyl]urea

C14H26N2O2 — CID 129433389

IUPAC1-[(3S)-hex-5-en-3-yl]-3-[(1S)-1-[(2S)-oxolan-2-yl]propyl]urea
SMILESC=CC[C@H](CC)NC(=O)N[C@@H](CC)[C@@H]1CCCO1
InChIInChI=1S/C14H26N2O2/c1-4-8-11(5-2)15-14(17)16-12(6-3)13-9-7-10-18-13/h4,11-13H,1,5-10H2,2-3H3,(H2,15,16,17)/t11-,12-,13-/m0/s1
InChIKeyNFDSRKQNNOMNCO-AVGNSLFASA-N
MW254.37 g/mol
LogP2.60
Rot. Bonds7

About 1-[(3S)-hex-5-en-3-yl]-3-[(1S)-1-[(2S)-oxolan-2-yl]propyl]urea

1-[(3S)-hex-5-en-3-yl]-3-[(1S)-1-[(2S)-oxolan-2-yl]propyl]urea (PubChem CID 129433389) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-[(3S)-hex-5-en-3-yl]-3-[(1S)-1-[(2S)-oxolan-2-yl]propyl]urea.

Molecular Properties

Compound Name1-[(3S)-hex-5-en-3-yl]-3-[(1S)-1-[(2S)-oxolan-2-yl]propyl]urea
PubChem CID129433389
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-[(3S)-hex-5-en-3-yl]-3-[(1S)-1-[(2S)-oxolan-2-yl]propyl]urea
SMILESC=CC[C@H](CC)NC(=O)N[C@@H](CC)[C@@H]1CCCO1
InChIInChI=1S/C14H26N2O2/c1-4-8-11(5-2)15-14(17)16-12(6-3)13-9-7-10-18-13/h4,11-13H,1,5-10H2,2-3H3,(H2,15,16,17)/t11-,12-,13-/m0/s1
InChIKeyNFDSRKQNNOMNCO-AVGNSLFASA-N
XLogP2.60
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(3S)-hex-5-en-3-yl]-3-[(1S)-1-[(2S)-oxolan-2-yl]propyl]urea with MolForge

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Related Compounds

N-[1-(oxolan-2-yl)propyl]acetamide
CID 130615261
1-(1-ethylpiperidin-4-yl)-3-[(1S)-1-[(2R)-oxolan-2-yl]propyl]urea
CID 97244266
tert-butyl N-[1-(oxolan-2-yl)propyl]carbamate
CID 90885725
1-(1-hydroxypentan-3-yl)-3-[1-(oxolan-2-yl)ethyl]urea
CID 111454546
2-[1-(oxolan-2-yl)propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 120696096
1-(4-hydroxy-2,2-dimethylpentyl)-3-[1-(oxolan-2-yl)propyl]urea
CID 109491442
1-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]propyl]urea
CID 99830495
4,4-dimethyl-2-(methylamino)-N-[1-(oxolan-2-yl)propyl]pentanamide
CID 167850623
1-[(3R)-hex-5-en-3-yl]-3-[(2R)-1-methylsulfanylpropan-2-yl]urea
CID 124886093
N-methyl-1-(oxolan-2-yl)hex-5-en-1-amine
CID 65328746
N-[4-[[(1R)-1-[(2R)-oxolan-2-yl]propyl]amino]cyclohexyl]acetamide
CID 99634980
2-(difluoromethylsulfanyl)-N-[(1S)-1-[(2R)-oxolan-2-yl]propyl]benzamide
CID 97095896

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-hex-5-en-3-yl]-3-[(1S)-1-[(2S)-oxolan-2-yl]propyl]urea?
The IUPAC name of 1-[(3S)-hex-5-en-3-yl]-3-[(1S)-1-[(2S)-oxolan-2-yl]propyl]urea (CID 129433389) is 1-[(3S)-hex-5-en-3-yl]-3-[(1S)-1-[(2S)-oxolan-2-yl]propyl]urea.
What is the SMILES notation for 1-[(3S)-hex-5-en-3-yl]-3-[(1S)-1-[(2S)-oxolan-2-yl]propyl]urea?
The canonical SMILES for 1-[(3S)-hex-5-en-3-yl]-3-[(1S)-1-[(2S)-oxolan-2-yl]propyl]urea is C=CC[C@H](CC)NC(=O)N[C@@H](CC)[C@@H]1CCCO1.
What is the InChIKey of 1-[(3S)-hex-5-en-3-yl]-3-[(1S)-1-[(2S)-oxolan-2-yl]propyl]urea?
The InChIKey is NFDSRKQNNOMNCO-AVGNSLFASA-N. The full InChI is InChI=1S/C14H26N2O2/c1-4-8-11(5-2)15-14(17)16-12(6-3)13-9-7-10-18-13/h4,11-13H,1,5-10H2,2-3H3,(H2,15,16,17)/t11-,12-,13-/m0/s1.
What are the key properties of 1-[(3S)-hex-5-en-3-yl]-3-[(1S)-1-[(2S)-oxolan-2-yl]propyl]urea?
1-[(3S)-hex-5-en-3-yl]-3-[(1S)-1-[(2S)-oxolan-2-yl]propyl]urea has a molecular weight of 254.37 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-hex-5-en-3-yl]-3-[(1S)-1-[(2S)-oxolan-2-yl]propyl]urea is sourced from PubChem (CID 129433389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).