1-(2-cyanoethyl)-1-cyclopropyl-3-(3,4-dihydro-2H-chromen-6-yl)urea

C16H19N3O2 — CID 71870344

IUPAC1-(2-cyanoethyl)-1-cyclopropyl-3-(3,4-dihydro-2H-chromen-6-yl)urea
SMILESN#CCCN(C(=O)Nc1ccc2c(c1)CCCO2)C1CC1
InChIInChI=1S/C16H19N3O2/c17-8-2-9-19(14-5-6-14)16(20)18-13-4-7-15-12(11-13)3-1-10-21-15/h4,7,11,14H,1-3,5-6,9-10H2,(H,18,20)
InChIKeyIUYKGBMAVBQRFN-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.92
Rot. Bonds4

About 1-(2-cyanoethyl)-1-cyclopropyl-3-(3,4-dihydro-2H-chromen-6-yl)urea

1-(2-cyanoethyl)-1-cyclopropyl-3-(3,4-dihydro-2H-chromen-6-yl)urea (PubChem CID 71870344) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-(2-cyanoethyl)-1-cyclopropyl-3-(3,4-dihydro-2H-chromen-6-yl)urea.

Molecular Properties

Compound Name1-(2-cyanoethyl)-1-cyclopropyl-3-(3,4-dihydro-2H-chromen-6-yl)urea
PubChem CID71870344
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name1-(2-cyanoethyl)-1-cyclopropyl-3-(3,4-dihydro-2H-chromen-6-yl)urea
SMILESN#CCCN(C(=O)Nc1ccc2c(c1)CCCO2)C1CC1
InChIInChI=1S/C16H19N3O2/c17-8-2-9-19(14-5-6-14)16(20)18-13-4-7-15-12(11-13)3-1-10-21-15/h4,7,11,14H,1-3,5-6,9-10H2,(H,18,20)
InChIKeyIUYKGBMAVBQRFN-UHFFFAOYSA-N
XLogP2.92
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-cyanoethyl)-3-(3,4-dihydro-2H-chromen-6-yl)-1-(pyridin-3-ylmethyl)urea
CID 71852443
1-(2-cyanoethyl)-1-cyclopropyl-3-(3-methylphenyl)urea
CID 54949101
4-[[2-cyanoethyl(cyclopropyl)carbamoyl]amino]-2-fluorobenzoic acid
CID 107796191
3-cyano-N-(2,3-dihydro-1-benzofuran-5-yl)propanamide
CID 115173560
N-(3,4-dihydro-2H-chromen-6-yl)carbamoyl bromide
CID 115193294
N-(3,4-dihydro-2H-chromen-6-yl)-2-sulfanylacetamide
CID 115166948
1-(2-cyanoethyl)-3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-pyridin-2-ylethyl)urea
CID 2812851
N-(3,4-dihydro-2H-chromen-6-yl)-2-hydroxypropanamide
CID 115140407
N-(3,4-dihydro-2H-chromen-6-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119767368
N-(3,4-dihydro-2H-chromen-6-yl)pyridine-4-carboxamide
CID 110726182
3-cyano-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide
CID 115173480
2-[cyclopropyl(2,3-dihydro-1H-inden-5-ylcarbamoyl)amino]acetic acid
CID 61185132

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanoethyl)-1-cyclopropyl-3-(3,4-dihydro-2H-chromen-6-yl)urea?
The IUPAC name of 1-(2-cyanoethyl)-1-cyclopropyl-3-(3,4-dihydro-2H-chromen-6-yl)urea (CID 71870344) is 1-(2-cyanoethyl)-1-cyclopropyl-3-(3,4-dihydro-2H-chromen-6-yl)urea.
What is the SMILES notation for 1-(2-cyanoethyl)-1-cyclopropyl-3-(3,4-dihydro-2H-chromen-6-yl)urea?
The canonical SMILES for 1-(2-cyanoethyl)-1-cyclopropyl-3-(3,4-dihydro-2H-chromen-6-yl)urea is N#CCCN(C(=O)Nc1ccc2c(c1)CCCO2)C1CC1.
What is the InChIKey of 1-(2-cyanoethyl)-1-cyclopropyl-3-(3,4-dihydro-2H-chromen-6-yl)urea?
The InChIKey is IUYKGBMAVBQRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c17-8-2-9-19(14-5-6-14)16(20)18-13-4-7-15-12(11-13)3-1-10-21-15/h4,7,11,14H,1-3,5-6,9-10H2,(H,18,20).
What are the key properties of 1-(2-cyanoethyl)-1-cyclopropyl-3-(3,4-dihydro-2H-chromen-6-yl)urea?
1-(2-cyanoethyl)-1-cyclopropyl-3-(3,4-dihydro-2H-chromen-6-yl)urea has a molecular weight of 285.35 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanoethyl)-1-cyclopropyl-3-(3,4-dihydro-2H-chromen-6-yl)urea is sourced from PubChem (CID 71870344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).