ethane;prop-1-ene;propylurea

C9H22N2O — CID 142245891

IUPACethane;prop-1-ene;propylurea
SMILESC=CC.CC.CCCNC(N)=O
InChIInChI=1S/C4H10N2O.C3H6.C2H6/c1-2-3-6-4(5)7;1-3-2;1-2/h2-3H2,1H3,(H3,5,6,7);3H,1H2,2H3;1-2H3
InChIKeyWKGMTGZDSHGJRD-UHFFFAOYSA-N
MW174.29 g/mol
LogP2.28
Rot. Bonds2

About ethane;prop-1-ene;propylurea

ethane;prop-1-ene;propylurea (PubChem CID 142245891) has the molecular formula C9H22N2O and a molecular weight of 174.29 g/mol. Its IUPAC name is ethane;prop-1-ene;propylurea.

Molecular Properties

Compound Nameethane;prop-1-ene;propylurea
PubChem CID142245891
Molecular FormulaC9H22N2O
Molecular Weight174.29 g/mol
Exact Mass174.17
IUPAC Nameethane;prop-1-ene;propylurea
SMILESC=CC.CC.CCCNC(N)=O
InChIInChI=1S/C4H10N2O.C3H6.C2H6/c1-2-3-6-4(5)7;1-3-2;1-2/h2-3H2,1H3,(H3,5,6,7);3H,1H2,2H3;1-2H3
InChIKeyWKGMTGZDSHGJRD-UHFFFAOYSA-N
XLogP2.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

propylurea;triethoxysilane
CID 161359868
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2-amino-3-methyl-N-(2-oxopropyl)but-2-enamide;ethane;propylurea
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pentylurea;hydrate
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butylurea;silicic acid
CID 86735760
molecular hydrogen;N-propylprop-2-enamide
CID 153372503
ethane;propylcarbamic acid
CID 155733503
N-[2-(carbamoylamino)ethyl]propanamide
CID 78993883
N,N-dimethylmethanamine;N-propylprop-2-enamide;hydrochloride
CID 173003472
N'-[2-[[2-oxo-2-(propylamino)acetyl]amino]ethyl]oxamide
CID 86248796
3-oxopentylurea
CID 19425945
2-amino-N-propylpropanamide;ethane
CID 142837247

Frequently Asked Questions

What is the IUPAC name of ethane;prop-1-ene;propylurea?
The IUPAC name of ethane;prop-1-ene;propylurea (CID 142245891) is ethane;prop-1-ene;propylurea.
What is the SMILES notation for ethane;prop-1-ene;propylurea?
The canonical SMILES for ethane;prop-1-ene;propylurea is C=CC.CC.CCCNC(N)=O.
What is the InChIKey of ethane;prop-1-ene;propylurea?
The InChIKey is WKGMTGZDSHGJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O.C3H6.C2H6/c1-2-3-6-4(5)7;1-3-2;1-2/h2-3H2,1H3,(H3,5,6,7);3H,1H2,2H3;1-2H3.
What are the key properties of ethane;prop-1-ene;propylurea?
ethane;prop-1-ene;propylurea has a molecular weight of 174.29 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;prop-1-ene;propylurea is sourced from PubChem (CID 142245891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).