1-(1-hydroxybutan-2-yl)-3-[(E)-prop-1-enyl]urea

C8H16N2O2 — CID 108909582

IUPAC1-(1-hydroxybutan-2-yl)-3-[(E)-prop-1-enyl]urea
SMILESC/C=C/NC(=O)NC(CC)CO
InChIInChI=1S/C8H16N2O2/c1-3-5-9-8(12)10-7(4-2)6-11/h3,5,7,11H,4,6H2,1-2H3,(H2,9,10,12)/b5-3+
InChIKeyQXKMWLLFDGDNPT-HWKANZROSA-N
MW172.23 g/mol
LogP0.59
Rot. Bonds4

About 1-(1-hydroxybutan-2-yl)-3-[(E)-prop-1-enyl]urea

1-(1-hydroxybutan-2-yl)-3-[(E)-prop-1-enyl]urea (PubChem CID 108909582) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 1-(1-hydroxybutan-2-yl)-3-[(E)-prop-1-enyl]urea.

Molecular Properties

Compound Name1-(1-hydroxybutan-2-yl)-3-[(E)-prop-1-enyl]urea
PubChem CID108909582
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name1-(1-hydroxybutan-2-yl)-3-[(E)-prop-1-enyl]urea
SMILESC/C=C/NC(=O)NC(CC)CO
InChIInChI=1S/C8H16N2O2/c1-3-5-9-8(12)10-7(4-2)6-11/h3,5,7,11H,4,6H2,1-2H3,(H2,9,10,12)/b5-3+
InChIKeyQXKMWLLFDGDNPT-HWKANZROSA-N
XLogP0.59
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-hydroxybutan-2-yl)-3-methylurea
CID 115279269
1-[(2S)-1-hydroxybutan-2-yl]-3-propylurea
CID 104981803
ethyl N-[(2S)-1-hydroxybutan-2-yl]carbamate
CID 10866636
1-butyl-3-(1-hydroxybutan-2-yl)urea
CID 43393019
N-[(2R)-1-hydroxybutan-2-yl]-2-methylbutanamide
CID 103919845
N-(1-hydroxybutan-2-yl)pentanamide
CID 43417907
4-hydroxy-N-(1-hydroxybutan-2-yl)butanamide
CID 79201131
1-[(2R)-2-ethylhexyl]-3-[(2R)-1-hydroxybutan-2-yl]urea
CID 94870934
2-chloro-N-[(2R)-1-hydroxybutan-2-yl]acetamide
CID 12032305
3-[(2S)-1-hydroxybutan-2-yl]-1,1-dimethylurea
CID 104981793
3-amino-N-(1-hydroxybutan-2-yl)-2-methylpropanamide
CID 62668866
tert-butyl N-(1-hydroxybutan-2-yl)carbamate
CID 15339785

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxybutan-2-yl)-3-[(E)-prop-1-enyl]urea?
The IUPAC name of 1-(1-hydroxybutan-2-yl)-3-[(E)-prop-1-enyl]urea (CID 108909582) is 1-(1-hydroxybutan-2-yl)-3-[(E)-prop-1-enyl]urea.
What is the SMILES notation for 1-(1-hydroxybutan-2-yl)-3-[(E)-prop-1-enyl]urea?
The canonical SMILES for 1-(1-hydroxybutan-2-yl)-3-[(E)-prop-1-enyl]urea is C/C=C/NC(=O)NC(CC)CO.
What is the InChIKey of 1-(1-hydroxybutan-2-yl)-3-[(E)-prop-1-enyl]urea?
The InChIKey is QXKMWLLFDGDNPT-HWKANZROSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-3-5-9-8(12)10-7(4-2)6-11/h3,5,7,11H,4,6H2,1-2H3,(H2,9,10,12)/b5-3+.
What are the key properties of 1-(1-hydroxybutan-2-yl)-3-[(E)-prop-1-enyl]urea?
1-(1-hydroxybutan-2-yl)-3-[(E)-prop-1-enyl]urea has a molecular weight of 172.23 g/mol, XLogP of 0.59, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxybutan-2-yl)-3-[(E)-prop-1-enyl]urea is sourced from PubChem (CID 108909582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).