1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methylurea

C7H14N2O2 — CID 79461046

IUPAC1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methylurea
SMILESCNC(=O)NCC1(CO)CC1
InChIInChI=1S/C7H14N2O2/c1-8-6(11)9-4-7(5-10)2-3-7/h10H,2-5H2,1H3,(H2,8,9,11)
InChIKeyBLIGWXAGQSZVKX-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.31
Rot. Bonds3

About 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methylurea

1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methylurea (PubChem CID 79461046) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methylurea.

Molecular Properties

Compound Name1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methylurea
PubChem CID79461046
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methylurea
SMILESCNC(=O)NCC1(CO)CC1
InChIInChI=1S/C7H14N2O2/c1-8-6(11)9-4-7(5-10)2-3-7/h10H,2-5H2,1H3,(H2,8,9,11)
InChIKeyBLIGWXAGQSZVKX-UHFFFAOYSA-N
XLogP-0.31
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-methylpropyl)urea
CID 111573291
1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-propan-2-ylurea
CID 115362818
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(6-methylheptan-2-yl)urea
CID 111618340
1-(3,3-dimethylbutan-2-yl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618872
[1-(hydroxymethyl)cyclopentyl]methylcarbamic acid
CID 66597374
1-[(4-ethylcyclohexyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618683
1-(5,5-dimethylhexan-2-yl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618934
1-methyl-3-[(1-methylcyclobutyl)methyl]urea
CID 103735098
1-(dicyclopropylmethyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618467
1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-phenylurea
CID 110642330
2,2-difluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide
CID 103513976
N-[[1-(hydroxymethyl)cyclopropyl]methyl]prop-2-ynamide
CID 115455293

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methylurea?
The IUPAC name of 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methylurea (CID 79461046) is 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methylurea.
What is the SMILES notation for 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methylurea?
The canonical SMILES for 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methylurea is CNC(=O)NCC1(CO)CC1.
What is the InChIKey of 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methylurea?
The InChIKey is BLIGWXAGQSZVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-8-6(11)9-4-7(5-10)2-3-7/h10H,2-5H2,1H3,(H2,8,9,11).
What are the key properties of 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methylurea?
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methylurea has a molecular weight of 158.20 g/mol, XLogP of -0.31, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methylurea is sourced from PubChem (CID 79461046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).