1-[(E)-2-cyclopentylprop-1-enyl]-3-(oxolan-2-ylmethyl)urea

C14H24N2O2 — CID 108913862

IUPAC1-[(E)-2-cyclopentylprop-1-enyl]-3-(oxolan-2-ylmethyl)urea
SMILESC/C(=C\NC(=O)NCC1CCCO1)C1CCCC1
InChIInChI=1S/C14H24N2O2/c1-11(12-5-2-3-6-12)9-15-14(17)16-10-13-7-4-8-18-13/h9,12-13H,2-8,10H2,1H3,(H2,15,16,17)/b11-9+
InChIKeyYHRKHRCASPGGAF-PKNBQFBNSA-N
MW252.36 g/mol
LogP2.56
Rot. Bonds4

About 1-[(E)-2-cyclopentylprop-1-enyl]-3-(oxolan-2-ylmethyl)urea

1-[(E)-2-cyclopentylprop-1-enyl]-3-(oxolan-2-ylmethyl)urea (PubChem CID 108913862) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-[(E)-2-cyclopentylprop-1-enyl]-3-(oxolan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[(E)-2-cyclopentylprop-1-enyl]-3-(oxolan-2-ylmethyl)urea
PubChem CID108913862
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-[(E)-2-cyclopentylprop-1-enyl]-3-(oxolan-2-ylmethyl)urea
SMILESC/C(=C\NC(=O)NCC1CCCO1)C1CCCC1
InChIInChI=1S/C14H24N2O2/c1-11(12-5-2-3-6-12)9-15-14(17)16-10-13-7-4-8-18-13/h9,12-13H,2-8,10H2,1H3,(H2,15,16,17)/b11-9+
InChIKeyYHRKHRCASPGGAF-PKNBQFBNSA-N
XLogP2.56
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(oxolan-2-ylmethyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea
CID 108914981
1-cyclohexyl-3-(oxolan-2-ylmethyl)urea
CID 2886315
1-cyclooctyl-3-(oxolan-2-ylmethyl)urea
CID 75865148
1-cyclopropyl-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 129365048
[(2S)-oxolan-2-yl]methylcarbamic acid
CID 69040354
(2R)-N,N-diethyl-2-[[(2S)-oxolan-2-yl]methylcarbamoylamino]propanamide
CID 95352951
(2S)-2-amino-N-(oxolan-2-ylmethyl)propanamide
CID 61145996
2-amino-N-(oxolan-2-ylmethyl)propanamide
CID 24697469
N-(oxolan-2-ylmethylcarbamothioyl)cyclohexanecarboxamide
CID 2908132
(3R)-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]piperidine-3-carboxamide
CID 124748940
(3S)-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]piperidine-3-carboxamide
CID 124748941
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 40531863

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-cyclopentylprop-1-enyl]-3-(oxolan-2-ylmethyl)urea?
The IUPAC name of 1-[(E)-2-cyclopentylprop-1-enyl]-3-(oxolan-2-ylmethyl)urea (CID 108913862) is 1-[(E)-2-cyclopentylprop-1-enyl]-3-(oxolan-2-ylmethyl)urea.
What is the SMILES notation for 1-[(E)-2-cyclopentylprop-1-enyl]-3-(oxolan-2-ylmethyl)urea?
The canonical SMILES for 1-[(E)-2-cyclopentylprop-1-enyl]-3-(oxolan-2-ylmethyl)urea is C/C(=C\NC(=O)NCC1CCCO1)C1CCCC1.
What is the InChIKey of 1-[(E)-2-cyclopentylprop-1-enyl]-3-(oxolan-2-ylmethyl)urea?
The InChIKey is YHRKHRCASPGGAF-PKNBQFBNSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-11(12-5-2-3-6-12)9-15-14(17)16-10-13-7-4-8-18-13/h9,12-13H,2-8,10H2,1H3,(H2,15,16,17)/b11-9+.
What are the key properties of 1-[(E)-2-cyclopentylprop-1-enyl]-3-(oxolan-2-ylmethyl)urea?
1-[(E)-2-cyclopentylprop-1-enyl]-3-(oxolan-2-ylmethyl)urea has a molecular weight of 252.36 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-cyclopentylprop-1-enyl]-3-(oxolan-2-ylmethyl)urea is sourced from PubChem (CID 108913862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).