pent-1-en-3-yloxycarbamic acid

C6H11NO3 — CID 91159745

IUPACpent-1-en-3-yloxycarbamic acid
SMILESC=CC(CC)ONC(=O)O
InChIInChI=1S/C6H11NO3/c1-3-5(4-2)10-7-6(8)9/h3,5,7H,1,4H2,2H3,(H,8,9)
InChIKeyZTRWMTQJNICKGB-UHFFFAOYSA-N
MW145.16 g/mol
LogP1.15
Rot. Bonds4

About pent-1-en-3-yloxycarbamic acid

pent-1-en-3-yloxycarbamic acid (PubChem CID 91159745) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is pent-1-en-3-yloxycarbamic acid.

Molecular Properties

Compound Namepent-1-en-3-yloxycarbamic acid
PubChem CID91159745
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Namepent-1-en-3-yloxycarbamic acid
SMILESC=CC(CC)ONC(=O)O
InChIInChI=1S/C6H11NO3/c1-3-5(4-2)10-7-6(8)9/h3,5,7H,1,4H2,2H3,(H,8,9)
InChIKeyZTRWMTQJNICKGB-UHFFFAOYSA-N
XLogP1.15
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(3R)-pent-1-en-3-yl] acetate
CID 92859949
pent-1-en-3-yl 2-(methylamino)acetate
CID 170207067
[(3S)-pent-1-en-3-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 174331482
1-O-ethyl 3-O-(5-methylhexa-1,5-dien-3-yl) 2-ethylpropanedioate
CID 174742895
pent-1-en-3-yl hydrogen sulfate
CID 87155299
ethyl hex-1-en-3-yl carbonate
CID 11073871
3-acetyloxypent-4-enoic acid
CID 72978320
ethane-1,2-diol;3-methoxypent-1-ene
CID 90081952
pent-1-en-3-yl 4-carbamoylbenzoate
CID 86782375
ethyl N-but-3-en-2-ylcarbamate
CID 55287045
3-ethoxycarbonylpent-4-enoic acid
CID 174635447
ethyl 2-(ethenylamino)butanoate
CID 144998787

Frequently Asked Questions

What is the IUPAC name of pent-1-en-3-yloxycarbamic acid?
The IUPAC name of pent-1-en-3-yloxycarbamic acid (CID 91159745) is pent-1-en-3-yloxycarbamic acid.
What is the SMILES notation for pent-1-en-3-yloxycarbamic acid?
The canonical SMILES for pent-1-en-3-yloxycarbamic acid is C=CC(CC)ONC(=O)O.
What is the InChIKey of pent-1-en-3-yloxycarbamic acid?
The InChIKey is ZTRWMTQJNICKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-3-5(4-2)10-7-6(8)9/h3,5,7H,1,4H2,2H3,(H,8,9).
What are the key properties of pent-1-en-3-yloxycarbamic acid?
pent-1-en-3-yloxycarbamic acid has a molecular weight of 145.16 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pent-1-en-3-yloxycarbamic acid is sourced from PubChem (CID 91159745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).