butan-1-ol;urea;hydrate

C5H16N2O3 — CID 172765702

IUPACbutan-1-ol;urea;hydrate
SMILESCCCCO.NC(N)=O.O
InChIInChI=1S/C4H10O.CH4N2O.H2O/c1-2-3-4-5;2-1(3)4;/h5H,2-4H2,1H3;(H4,2,3,4);1H2
InChIKeyMGZOWQCQUGJKIF-UHFFFAOYSA-N
MW152.19 g/mol
LogP-1.02
Rot. Bonds2

About butan-1-ol;urea;hydrate

butan-1-ol;urea;hydrate (PubChem CID 172765702) has the molecular formula C5H16N2O3 and a molecular weight of 152.19 g/mol. Its IUPAC name is butan-1-ol;urea;hydrate.

Molecular Properties

Compound Namebutan-1-ol;urea;hydrate
PubChem CID172765702
Molecular FormulaC5H16N2O3
Molecular Weight152.19 g/mol
Exact Mass152.12
IUPAC Namebutan-1-ol;urea;hydrate
SMILESCCCCO.NC(N)=O.O
InChIInChI=1S/C4H10O.CH4N2O.H2O/c1-2-3-4-5;2-1(3)4;/h5H,2-4H2,1H3;(H4,2,3,4);1H2
InChIKeyMGZOWQCQUGJKIF-UHFFFAOYSA-N
XLogP-1.02
TPSA120.84 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 5-1.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

butan-1-ol
CID 20532113
(1,2,3,4-13C4)butan-1-ol
CID 71309697
butan-1-ol;ethane;2-methylpropanamide
CID 142541326
bis(butan-1-ol);hafnium;bis(propan-2-one)
CID 174752199
carbamic acid;octan-1-ol
CID 175180386
tetrakis(butan-1-ol);oxozirconium
CID 173370140
butan-1-ol;ethyl acetate;hydrate
CID 19878091
tris(butan-1-ol);zirconium
CID 25200102
butan-1-ol;cadmium
CID 154199105
sodium butan-1-ol
CID 19366054
butan-1-ol;nickel
CID 22477011
butane;butan-1-ol
CID 19774960

Frequently Asked Questions

What is the IUPAC name of butan-1-ol;urea;hydrate?
The IUPAC name of butan-1-ol;urea;hydrate (CID 172765702) is butan-1-ol;urea;hydrate.
What is the SMILES notation for butan-1-ol;urea;hydrate?
The canonical SMILES for butan-1-ol;urea;hydrate is CCCCO.NC(N)=O.O.
What is the InChIKey of butan-1-ol;urea;hydrate?
The InChIKey is MGZOWQCQUGJKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.CH4N2O.H2O/c1-2-3-4-5;2-1(3)4;/h5H,2-4H2,1H3;(H4,2,3,4);1H2.
What are the key properties of butan-1-ol;urea;hydrate?
butan-1-ol;urea;hydrate has a molecular weight of 152.19 g/mol, XLogP of -1.02, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-ol;urea;hydrate is sourced from PubChem (CID 172765702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).