carbamic acid;propyl prop-2-enoate

C7H13NO4 — CID 87571569

IUPACcarbamic acid;propyl prop-2-enoate
SMILESC=CC(=O)OCCC.NC(=O)O
InChIInChI=1S/C6H10O2.CH3NO2/c1-3-5-8-6(7)4-2;2-1(3)4/h4H,2-3,5H2,1H3;2H2,(H,3,4)
InChIKeyWQBSXQNCTDBWLH-UHFFFAOYSA-N
MW175.18 g/mol
LogP0.75
Rot. Bonds3

About carbamic acid;propyl prop-2-enoate

carbamic acid;propyl prop-2-enoate (PubChem CID 87571569) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is carbamic acid;propyl prop-2-enoate.

Molecular Properties

Compound Namecarbamic acid;propyl prop-2-enoate
PubChem CID87571569
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Namecarbamic acid;propyl prop-2-enoate
SMILESC=CC(=O)OCCC.NC(=O)O
InChIInChI=1S/C6H10O2.CH3NO2/c1-3-5-8-6(7)4-2;2-1(3)4/h4H,2-3,5H2,1H3;2H2,(H,3,4)
InChIKeyWQBSXQNCTDBWLH-UHFFFAOYSA-N
XLogP0.75
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethenoxyethene;propyl prop-2-enoate
CID 174744389
pentyl prop-2-enoate;propyl prop-2-enoate
CID 175293000
N-propan-2-ylpropan-2-amine;propyl prop-2-enoate
CID 175325942
N,N-di(propan-2-yl)propan-2-amine;propyl prop-2-enoate
CID 146373089
propan-2-yl prop-2-enoate;propyl prop-2-enoate
CID 19001097
pentyl prop-2-enoate;prop-2-enamide
CID 175210545
acetic acid;butyl prop-2-enoate;prop-2-enoic acid
CID 159700661
octyl prop-2-enoate;prop-2-enoic acid
CID 87340168
dimethoxy(propyl)silane;propyl prop-2-enoate
CID 174852514
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate;tridecyl prop-2-enoate
CID 159575283
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate
CID 159699669
pentatriacontyl prop-2-enoate
CID 141309454

Frequently Asked Questions

What is the IUPAC name of carbamic acid;propyl prop-2-enoate?
The IUPAC name of carbamic acid;propyl prop-2-enoate (CID 87571569) is carbamic acid;propyl prop-2-enoate.
What is the SMILES notation for carbamic acid;propyl prop-2-enoate?
The canonical SMILES for carbamic acid;propyl prop-2-enoate is C=CC(=O)OCCC.NC(=O)O.
What is the InChIKey of carbamic acid;propyl prop-2-enoate?
The InChIKey is WQBSXQNCTDBWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2.CH3NO2/c1-3-5-8-6(7)4-2;2-1(3)4/h4H,2-3,5H2,1H3;2H2,(H,3,4).
What are the key properties of carbamic acid;propyl prop-2-enoate?
carbamic acid;propyl prop-2-enoate has a molecular weight of 175.18 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbamic acid;propyl prop-2-enoate is sourced from PubChem (CID 87571569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).