[4-[(E)-but-2-enoxy]cyclohexyl]carbamic acid

C11H19NO3 — CID 155351697

IUPAC[4-[(E)-but-2-enoxy]cyclohexyl]carbamic acid
SMILESC/C=C/COC1CCC(NC(=O)O)CC1
InChIInChI=1S/C11H19NO3/c1-2-3-8-15-10-6-4-9(5-7-10)12-11(13)14/h2-3,9-10,12H,4-8H2,1H3,(H,13,14)/b3-2+
InChIKeyKSVJEHAFPNWAKG-NSCUHMNNSA-N
MW213.28 g/mol
LogP2.16
Rot. Bonds4

About [4-[(E)-but-2-enoxy]cyclohexyl]carbamic acid

[4-[(E)-but-2-enoxy]cyclohexyl]carbamic acid (PubChem CID 155351697) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is [4-[(E)-but-2-enoxy]cyclohexyl]carbamic acid.

Molecular Properties

Compound Name[4-[(E)-but-2-enoxy]cyclohexyl]carbamic acid
PubChem CID155351697
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name[4-[(E)-but-2-enoxy]cyclohexyl]carbamic acid
SMILESC/C=C/COC1CCC(NC(=O)O)CC1
InChIInChI=1S/C11H19NO3/c1-2-3-8-15-10-6-4-9(5-7-10)12-11(13)14/h2-3,9-10,12H,4-8H2,1H3,(H,13,14)/b3-2+
InChIKeyKSVJEHAFPNWAKG-NSCUHMNNSA-N
XLogP2.16
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-but-2-enoxycyclobutyl)carbamic acid
CID 155351785
[3-[(E)-but-2-enoxy]cyclobutyl]carbamic acid
CID 155351782
(4-methoxycyclohexyl)carbamic acid
CID 68557751
[4-[(E)-2-ethylhept-5-enyl]cyclohexyl]carbamic acid
CID 166940438
[4-(methoxymethyl)cyclohexyl]carbamic acid
CID 66699748
[1-(4-ethoxycyclohexyl)piperidin-4-yl]carbamic acid
CID 66741641
[(1S,3S)-3-methoxycyclopentyl]carbamic acid
CID 135318660
(4-iodocyclohexyl)carbamic acid
CID 68625935
[4-(iodomethyl)cyclohexyl]carbamic acid
CID 89239782
1-[(E)-but-2-enoxy]-4-[4-(4-ethenylcyclohexyl)cyclohexyl]cyclohexane
CID 130414810
ethyl (E)-4-cyclopentyloxybut-2-enoate
CID 80545801
[4-[(E)-3-hydroxyprop-1-enyl]cyclohexyl]carbamic acid
CID 172688801

Frequently Asked Questions

What is the IUPAC name of [4-[(E)-but-2-enoxy]cyclohexyl]carbamic acid?
The IUPAC name of [4-[(E)-but-2-enoxy]cyclohexyl]carbamic acid (CID 155351697) is [4-[(E)-but-2-enoxy]cyclohexyl]carbamic acid.
What is the SMILES notation for [4-[(E)-but-2-enoxy]cyclohexyl]carbamic acid?
The canonical SMILES for [4-[(E)-but-2-enoxy]cyclohexyl]carbamic acid is C/C=C/COC1CCC(NC(=O)O)CC1.
What is the InChIKey of [4-[(E)-but-2-enoxy]cyclohexyl]carbamic acid?
The InChIKey is KSVJEHAFPNWAKG-NSCUHMNNSA-N. The full InChI is InChI=1S/C11H19NO3/c1-2-3-8-15-10-6-4-9(5-7-10)12-11(13)14/h2-3,9-10,12H,4-8H2,1H3,(H,13,14)/b3-2+.
What are the key properties of [4-[(E)-but-2-enoxy]cyclohexyl]carbamic acid?
[4-[(E)-but-2-enoxy]cyclohexyl]carbamic acid has a molecular weight of 213.28 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-but-2-enoxy]cyclohexyl]carbamic acid is sourced from PubChem (CID 155351697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).