(4-methyl-3-oxopent-4-enyl) carbamate

C7H11NO3 — CID 137378458

IUPAC(4-methyl-3-oxopent-4-enyl) carbamate
SMILESC=C(C)C(=O)CCOC(N)=O
InChIInChI=1S/C7H11NO3/c1-5(2)6(9)3-4-11-7(8)10/h1,3-4H2,2H3,(H2,8,10)
InChIKeyYKNZQRMPWPQRNV-UHFFFAOYSA-N
MW157.17 g/mol
LogP0.62
Rot. Bonds4

About (4-methyl-3-oxopent-4-enyl) carbamate

(4-methyl-3-oxopent-4-enyl) carbamate (PubChem CID 137378458) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is (4-methyl-3-oxopent-4-enyl) carbamate.

Molecular Properties

Compound Name(4-methyl-3-oxopent-4-enyl) carbamate
PubChem CID137378458
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name(4-methyl-3-oxopent-4-enyl) carbamate
SMILESC=C(C)C(=O)CCOC(N)=O
InChIInChI=1S/C7H11NO3/c1-5(2)6(9)3-4-11-7(8)10/h1,3-4H2,2H3,(H2,8,10)
InChIKeyYKNZQRMPWPQRNV-UHFFFAOYSA-N
XLogP0.62
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(4-methyl-3-oxopent-4-enyl) 2-methylprop-2-enoate
CID 18739125
(4-methyl-3-oxopent-4-enyl) butanoate
CID 170015933
5-methoxy-3-methylidenepentan-2-one;bis(5-methoxy-2-methylpent-1-en-3-one)
CID 91201755
(4-methyl-3-oxopent-4-enyl) 2-methylpent-2-enoate
CID 91164062
3-(carbamoyloxymethyl)but-3-enyl carbamate
CID 89382889
[1-[2-(4-methyl-3-oxopent-4-enoxy)-2-oxoethoxy]-1-oxopropan-2-yl] 2-methylprop-2-enoate
CID 158277052
CID 58422055
CID 58422055
2-methyl-5-[2-[2-[2-[2-(3-oxopent-4-enoxy)ethoxy]ethoxy]ethoxy]ethoxy]pent-1-en-3-one
CID 90191283
ethyl carbamate;bis(2-methylprop-1-ene)
CID 159122273
2-methyl-7-silyloxyhept-1-en-3-one
CID 150129345
ethyl 3-carbamoyloxypropanoate
CID 175485814
(4-methyl-3-oxopent-4-enyl) N-[4-[[4-[(4-methyl-3-oxopent-4-enoxy)carbonylamino]cyclohexyl]methyl]cyclohexyl]carbamate
CID 129070830

Frequently Asked Questions

What is the IUPAC name of (4-methyl-3-oxopent-4-enyl) carbamate?
The IUPAC name of (4-methyl-3-oxopent-4-enyl) carbamate (CID 137378458) is (4-methyl-3-oxopent-4-enyl) carbamate.
What is the SMILES notation for (4-methyl-3-oxopent-4-enyl) carbamate?
The canonical SMILES for (4-methyl-3-oxopent-4-enyl) carbamate is C=C(C)C(=O)CCOC(N)=O.
What is the InChIKey of (4-methyl-3-oxopent-4-enyl) carbamate?
The InChIKey is YKNZQRMPWPQRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-5(2)6(9)3-4-11-7(8)10/h1,3-4H2,2H3,(H2,8,10).
What are the key properties of (4-methyl-3-oxopent-4-enyl) carbamate?
(4-methyl-3-oxopent-4-enyl) carbamate has a molecular weight of 157.17 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-3-oxopent-4-enyl) carbamate is sourced from PubChem (CID 137378458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).